MODULE constants_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: constants_module                                          *
!                                                                            *
!     File Name: constants_module.f90                                        *
!                                                                            *
!     Purpose:  Contains constants for the size and types of global variables*
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: February 04, 2004                                                *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   02/04/04      0             Initial Release                *
!    R.L. Reese   03/28/06      A             Added integration constants    *
!                                             sizes for Speces Module        *
!                                             Increased size of atoms for E  *
!                                             Changed file lengths to 1024   *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE constants_module                                                      *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     constants_module                                                       *
!     double_kind     - Integer variable containing kind value for 15 bit    *
!                       precision                                            *
!     double_p        - Integer value of number of digits of precision       *
!     double_module                                                          *
!     matrix_columns  - Integer value of number of matrix columns            *
!     matrix_rows     - Integer value of number of matrix rows               *
!     eqlbrm_module                                                          *
!     ak1_size        - Integer value of size of ak1 array                   *
!     ak2_size        - Integer value of size of ak2 array                   *
!     ak4_size        - Integer value of size of ak4 array                   *
!     delg_size       - Integer value of size of delg array                  *
!     deln_size       - Integer value of size of deln array                  *
!     gas1_len        - Integer value of length of first type of gas char    *
!     gas2_len        - Integer value of length of second type of gas char   *
!     itn             - Integer value of intital iteration count             *
!     last_temp       - Integer value index to temperature to check for      *
!                       current temperature range                            *
!     ncond_test      - Integer value to use for singularity test            *
!     nocon2_test     - Integer value to use for second singularity test     *
!     num_int_max     - Integer value for maximum of num_int allowed         *
!     num_logs        - Integer value for number of logs to use in           *
!                       calculations from data in Janaf Tables               *
!     num_moles       - Integer value of number of moles to use to           *
!                       to determine if species is to be removed             *
!     indx_module                                                            *
!     aa_size         - Integer size of the aa array                         *
!     bb_size         - Integer size of the bb array                         *
!     coefx_size      - Integer value of size of coefx array                 *
!     char_len        - Integer value used as len of char to replace default *
!                       length of 4 characters in one word for FORTRAN 4 and *
!                       FORTRAN 77                                           *
!     ll_test         - Integer value to use for test to determine which     *
!                       reactants to remove of add                           *
!     newmol_test     - Integer value to use for test to determine if new    *
!                       search is to be bypassed                             *
!     new_test        - Integer value to use for test to determine if one    *
!                       reactant is to be added or removed                   *
!     second_add      - Integer value to use for second index of add array   *
!     switch_index    - Integer value to use for index in switching values   *
!     third_add       - Integer value to use for third index of add array    *
!     third_base      - Integer value to use for third index of base array   *
!     third_top       - Integer value to use for third index of top array    *
!     to_size         - Integer value to use for size of to array            *
!     misc_module                                                            *
!     file_length     - Integer value of number of characters in file name   *
!     iatom_length    - Integer length of iatom characters                   *
!     idata_length    - Integer length of the idata array                    *
!     input_unit      - Integer value of the input unit number               *
!     insert_length   - Integer length of the specie to be included          *
!     insert_max      - Upper do loop boundary for transfering insert        *
!                       specie name                                          *
!     len_blank       - Integer value of length of blank character           *
!     len_char        - Integer value used as len of char to replace default *
!                       length of 4 characters in one word for FORTRAN 4 and *
!                       FORTRAN 77                                           *
!     max_atoms       - Integer containing maximum number of atoms           *
!     max_reacts      - Integer containing maximum number of reactants in a  *
!                       record                                               *
!     message_offset  - Integer value for offset of message number to use    *
!     message_numbers - Integer value of number of error messages            *
!     newmol_reset    - Integer value to reset newmol to for next run        *
!     nnames          - Integer value number of built in species             *
!     noconv_test     - Integer value of maximum number of no convergence    *
!                       results                                              *
!     npt_maximum     - Integer value of maximum number of npt's for output  *
!     omit_length     - Integer length of the specie to be omitted           *
!     omit_max        - Upper do loop boundary for transfering omitted       *
!                       specie name                                          *
!     output_unit     - Integer value of the output unit number              *
!     react_message   - Integer containing message number for read error     *
!     react_sets      - Integer value of maximum number of reactant records  *
!     react_values    - Integer value of maximum number of reactant values   *
!                       per reactant records(sets)                           *
!     reread_length   - Integer value of length of re-read buffer for        *
!                       subroutine read_error                                *
!     scratch_unit    - Integer value of logical unit for scratch file       *
!     search_message  - Integer value of message to output for read error    *
!     species_max     - Integer value of maximum number of species allowed   *
!     stop_or_go_len  - Integer value of length of stop_or_go character      *
!     t_p_nrecs       - Integer value of maximum number of records for temp  *
!                       and pressure values                                  *
!     t_p_values      - Integer value of maximum number of temp or pressure  *
!                       values per input record                              *
!     temp_data_len   - Integer value of length of temp_data                 *
!     therm_message   - Integer index to message for read_error              *
!     therm_unit      - Integer unit number of logical unit for input        *
!                       of thermodynamic data                                *
!     out1_module                                                            *
!     fug_size        - Integer value of size of fug array                   *
!     ib_length       - Integer value of length of ib character              *
!     io2_length      - Integer value of length of io2 character             *
!     jt_value        - Integer value of maximum size of output line values  *
!     max_react       - Integer value of maximum size of output line for     *
!                       reactants                                            *
!     qfmrel_size     - Integer value of size of qfmrel array                *
!     tc_size         - Integer value of size of tc array                    *
!     v_size          - Integer value of size of v array                     *
!     points_module                                                          *
!     npt_size       - Integer value of number of points saved for output    *
!     pt_size        - Integer value of total number of pressures and        *
!                      temperatures                                          *
!     search_module                                                          *
!     b_size         - Integer variable used as size of b array              *
!     date_high_size - Integer variable used as high size of date array      *
!     date_low_size  - Integer variable used as low size of date array       *
!     gas_len        - Integer value of lenth of gas                         *
!     iend_len       - Integer value of length of iend                       *
!     insert_flag_len- Integer variable used as length of insert_flag        *
!     lmt_size       - Integer variable used as size of lmt array            *
!     max_char       - Integer variable used as maximum number of            *
!                      characters allowed in a name                          *
!     max_mole       - Integer variable used as maximum number of moles      *
!     max_species    - Integer variable used as maximum number of species    *
!     ms_increment   - Integer variable used as do loop increment for        *
!                      finding species in record                             *
!     mt_size        - Integer variable used as size of mt array             *
!     nam_size       - Integer variable used as size of nam array            *
!     ns_increment   - Integer variable used as do loop increment for        *
!                      outputting species names used in current problem      *
!     omit_flag_len  - Integer variable used as length of omit_flag          *
!     phaz_length    - Integer variable used as length of phaz character     *
!     second_date    - Integer variable used as index to second date on      *
!                      coefficient record                                    *
!     second_temp    - Integer variable used as index to second temp on      *
!                      coefficient record                                    *
!     tdate_high_size- Integer variable used as high size of tdate array     *
!     tdate_low_size - Integer variable used as low size of tdate array      *
!     toobig_high_size- Integer variable used as high size of toobig array   *
!     toobig_low_size- Integer variable used as low size of toobig array     *
!     tsub_high_size - Integer variable used as high size of tsub array      *
!     tsub_low_size  - Integer variable used as low size of tsub array       *
!     speces_module                                                          *
!     b_values_number- Integer value of number of integration sets per       *
!                      species                                               *
!     b_values_sets  - Integer value of number of integration sets           *
!     coeff_number   - Integer value of number of coefficient sets per       *
!                      species                                               *
!     coeff_sets     - Integer value of number of coefficient sets           *
!     high_coeff     - Integer index to set of high coefficients             *
!     high_coeff_test- Integer value to test for use of high coefficients    *
!     len_chars      - Integer value of length of code characters            *
!     low_coeff      - Integer index to set of low coefficients              *
!     max_elements   - Integer value of maximum elements in a current system *
!     maximum_species- Integer value of number of species allowed            *
!     npt_number     - Integer value of number of points output at once      *
!     num_chars      - Integer value of number of char*4 characters          *
!     phase_range    - Integer value to use for plus/minus search of         *
!                      condensed species being used                          *
!     temp_sets      - Integer value of number of sets of T range            *
!                                                                            *
!     External Software:                                                     *
!     -----------------                                                      *
!                                                                            *
!     selected_real_kind - Returns kind type for precision required          *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  IMPLICIT none
 
! Change this value to increase or decrease number of species to be included in
! a problem.  Originally defined in subroutine search.  Also affects the number
! of species put into temporary storage and number of species that exceed this
! number
 
  INTEGER, PARAMETER :: max_species     = 100
 
! Change this value to increase or decrease number of elements to be included in
! a problem.  Originally defined in module speces.  This is the total number of elements
! allowed in the reactant input records.
 
  INTEGER, PARAMETER :: max_elements    = 15
 
! Change this value to increase or decrease number of points output per line in thermodynamic
! properties output.  Current value fits on screen for font size of 10
 
  INTEGER, PARAMETER :: npt_maximum     = 6
 
! Change this value to increase or decrease number of precision for double precision numbers
! Current value is for 15 points of precision
 
  INTEGER, PARAMETER :: double_p        = 15
  INTEGER, PARAMETER :: double_kind     = selected_real_kind(p = double_p)
 
! Contants for array sizes in double_module
 
  INTEGER, PARAMETER :: matrix_columns  = 21
  INTEGER, PARAMETER :: double_rows     = 20
 
! Constants for array sizes in eqlbrm_module
 
  INTEGER, PARAMETER :: ak1_size        = 8
  INTEGER, PARAMETER :: ak2_size        = 8
  INTEGER, PARAMETER :: ak4_size        = 8
  INTEGER, PARAMETER :: delg_size       = max_species
  INTEGER, PARAMETER :: deln_size       = max_species
  INTEGER, PARAMETER :: gas1_len        = 2
  INTEGER, PARAMETER :: gas2_len        = 3
 
! General constants in eqlbrm routines
 
  INTEGER, PARAMETER :: itn             = 35
  INTEGER, PARAMETER :: last_temp       = 2
  INTEGER, PARAMETER :: ncond_test      = 2
  INTEGER, PARAMETER :: nocon2_test     = 2
  INTEGER, PARAMETER :: num_int_max     = 15
  INTEGER, PARAMETER :: num_logs        = 8
  INTEGER, PARAMETER :: num_moles       = 10
 
! General constants for indx_module
 
  INTEGER, PARAMETER :: aa_size         = max_elements
  INTEGER, PARAMETER :: bb_size         = max_elements
  INTEGER, PARAMETER :: coefx_size      = 20
  INTEGER, PARAMETER :: char_len        = 4
  INTEGER, PARAMETER :: ll_test         = 2
  INTEGER, PARAMETER :: new_test        = 2
  INTEGER, PARAMETER :: newmol_test     = 2
  INTEGER, PARAMETER :: second_add      = 2
  INTEGER, PARAMETER :: switch_index    = 2
  INTEGER, PARAMETER :: third_add       = 3
  INTEGER, PARAMETER :: third_base      = 3
  INTEGER, PARAMETER :: third_top       = 3
  INTEGER, PARAMETER :: to_size         = max_elements
 
!  misc_module lengths and sizes
 
  INTEGER, PARAMETER :: file_length     = 1024
  INTEGER, PARAMETER :: iatom_length    = 2
  INTEGER, PARAMETER :: idata_length    = 17
  INTEGER, PARAMETER :: len_blank       = 1
  INTEGER, PARAMETER :: len_char        = 4
  INTEGER, PARAMETER :: max_atoms       = 102
  INTEGER, PARAMETER :: message_numbers = 6
  INTEGER, PARAMETER :: nnames          = 26
  INTEGER, PARAMETER :: react_sets      = max_elements
  INTEGER, PARAMETER :: react_values    = 5
  INTEGER, PARAMETER :: reread_length   = 1024
  INTEGER, PARAMETER :: species_max     = max_species
 
! General constants
 
  INTEGER, PARAMETER :: input_unit      = 5
  INTEGER, PARAMETER :: insert_length   = 8
  INTEGER, PARAMETER :: insert_max      = 9
  INTEGER, PARAMETER :: max_reacts      = 5
  INTEGER, PARAMETER :: message_offset  = 2
  INTEGER, PARAMETER :: newmol_reset    = 2
  INTEGER, PARAMETER :: noconv_test     = 2
  INTEGER, PARAMETER :: omit_length     = 8
  INTEGER, PARAMETER :: omit_max        = 9
  INTEGER, PARAMETER :: output_unit     = 6
  INTEGER, PARAMETER :: react_message   = 2
  INTEGER, PARAMETER :: scratch_unit    = 3
  INTEGER, PARAMETER :: search_message  = 3
  INTEGER, PARAMETER :: stop_or_go_len  = 1024
  INTEGER, PARAMETER :: t_p_nrecs       = 5
  INTEGER, PARAMETER :: t_p_values      = 9
  INTEGER, PARAMETER :: temp_data_len   = 1024
  INTEGER, PARAMETER :: therm_message   = 1
  INTEGER, PARAMETER :: therm_unit      = 4
 
! out1_module lengths and sizes
 
  INTEGER, PARAMETER :: ib_length       = 2
  INTEGER, PARAMETER :: io2_length      = 4
 
! out1_module general constants
 
  INTEGER, PARAMETER :: fug_size        = npt_maximum
  INTEGER, PARAMETER :: jt_value        = npt_maximum
  INTEGER, PARAMETER :: max_react       = 5
  INTEGER, PARAMETER :: qfmrel_size     = npt_maximum
  INTEGER, PARAMETER :: tc_size         = npt_maximum
  INTEGER, PARAMETER :: v_size          = npt_maximum
 
!  points_module sizes and dimensions
 
  INTEGER, PARAMETER :: npt_size        = npt_maximum
  INTEGER, PARAMETER :: pt_size         = 45
 
! search_module sizes and dimensions
 
  INTEGER, PARAMETER :: gas_len         = 1
  INTEGER, PARAMETER :: iend_len        = 4
 
! search_module general constants
 
  INTEGER, PARAMETER :: b_size          = 10
  INTEGER, PARAMETER :: date_high_size  = max_species
  INTEGER, PARAMETER :: date_low_size   = 2
  INTEGER, PARAMETER :: insert_flag_len = max_species
  INTEGER, PARAMETER :: lmt_size        = max_elements
  INTEGER, PARAMETER :: max_char        = 8
  INTEGER, PARAMETER :: max_mole        = 5
  INTEGER, PARAMETER :: ms_increment    = 2
  INTEGER, PARAMETER :: mt_size         = 10
  INTEGER, PARAMETER :: nam_size        = 8
  INTEGER, PARAMETER :: ns_increment    = 2
  INTEGER, PARAMETER :: omit_flag_len   = max_species
  INTEGER, PARAMETER :: phaz_length     = 1
  INTEGER, PARAMETER :: second_date     = 2
  INTEGER, PARAMETER :: second_temp     = 2
  INTEGER, PARAMETER :: tdate_high_size = max_species
  INTEGER, PARAMETER :: tdate_low_size  = 2
  INTEGER, PARAMETER :: toobig_high_size= max_species
  INTEGER, PARAMETER :: toobig_low_size = 8
  INTEGER, PARAMETER :: tsub_high_size  = 8
  INTEGER, PARAMETER :: tsub_low_size   = max_species
 
! speces_module lengths and sizes
 
  INTEGER, PARAMETER :: b_values_number = 2
  INTEGER, PARAMETER :: b_values_sets   = 2
  INTEGER, PARAMETER :: coeff_number    = 7
  INTEGER, PARAMETER :: coeff_sets      = 2
  INTEGER, PARAMETER :: len_chars       = 4
  INTEGER, PARAMETER :: maximum_species = max_species
  INTEGER, PARAMETER :: npt_number      = npt_maximum
  INTEGER, PARAMETER :: num_chars       = 8
  INTEGER, PARAMETER :: temp_sets       = 2
 
! speces_module general constants
 
  INTEGER, PARAMETER :: high_coeff      = 1
  INTEGER, PARAMETER :: high_coeff_test = 2
  INTEGER, PARAMETER :: low_coeff       = 2
  INTEGER, PARAMETER :: phase_range     = 10
 
END MODULE constants_module
 
MODULE check_values_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: check_values_module                                       *
!                                                                            *
!     File Name: check_values_module.f90                                     *
!                                                                            *
!     Purpose:  Contains interface for subroutines check_values,             *
!               count_nonblanks, file_open, check_logicals and               *
!               temp_press_check                                             *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: January 20, 2004                                                 *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   01/20/04      0             Initial Release                *
!    R.L. Reese   03/30/06      A             Added Check_logicals           *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE check_values_module                                                   *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     check_logicals   - Checks input logigal values for validity            *
!     check_values     - Checks input values for various parameters          *
!     count_nonblanks  - Counts number of nonblanks in input field           *
!     file_open        - Opens the input and output files                    *
!     temp_press_check - Checks temperature and pressure input values        *
!                                                                            *
!*****************************************************************************
!###
  IMPLICIT none
 
  INTERFACE check_log
 
    SUBROUTINE check_logicals( &
               read_status, &
               tem_read,    &
               gas_input_read, &
               new_thermo_read)
      IMPLICIT none
      INTEGER,INTENT(inout) :: read_status
      CHARACTER(len=1),INTENT(inout)  :: tem_read
      CHARACTER(len=1),INTENT(inout)  :: gas_input_read
      CHARACTER(len=1),INTENT(inout)  :: new_thermo_read
    END SUBROUTINE check_logicals
 
  END INTERFACE check_log
 
  INTERFACE check_sub
 
    SUBROUTINE check_values( &
               read_status)
      IMPLICIT none
      INTEGER,INTENT(inout) :: read_status
    END SUBROUTINE check_values
 
  END INTERFACE check_sub
 
  INTERFACE count_sub
 
    SUBROUTINE count_nonblanks( &
               temp_value, &
               read_status)
      IMPLICIT none
      INTEGER,intent(inout) :: read_status
      INTEGER,intent(inout) :: temp_value
    END SUBROUTINE count_nonblanks
 
  END INTERFACE count_sub
 
  INTERFACE t_p_sub
 
    SUBROUTINE temp_press_check( &
               read_status, &
               read_loop, &
               loop_error)
      IMPLICIT none
      INTEGER,INTENT(inout) :: read_status
      LOGICAL,INTENT(inout) :: loop_error
      LOGICAL,INTENT(inout) :: read_loop
    END SUBROUTINE temp_press_check
 
  END INTERFACE t_p_sub
 
  INTERFACE file_sub
 
    SUBROUTINE file_open( &
               file_error)
      IMPLICIT none
      LOGICAL,INTENT(inout) :: file_error
    END SUBROUTINE file_open
 
  END INTERFACE file_sub
 
END MODULE check_values_module
 
MODULE saxena_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: saxena_module                                             *
!                                                                            *
!     File Name: saxena_module.f90                                           *
!                                                                            *
!     Purpose:  Contains contants for subroutine saxena                      *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE saxena_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     pcc - Real array containing critical pressures for certain gases       *
!     pcc_size - Integer value of size of pcc array                          *
!     po  - Real value = 4000.0 bars                                         *
!     tcc - Real array containing critical temperatures for certain gases    *
!     tcc_size - Integer value of size of tcc array                          *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  IMPLICIT none
 
! Local variables for sizes and dimensions
 
  INTEGER,PARAMETER  :: pcc_size = 26
  INTEGER,PARAMETER  :: tcc_size = 26
 
  REAL,DIMENSION(pcc_size),SAVE :: pcc
  REAL,DIMENSION(tcc_size),SAVE :: tcc
 
  REAL,PARAMETER :: po = 4000.0
 
!       Critical temperatures and pressures.
!
!             AR    H2    N2     O2     F2    CL2   NH3    N2H4
  DATA tcc/150.8,43.6,126.2,154.58,144.3,417.,405.6,653., &
!     HCN   C0   C02   N2O     NO    N2O2    S02    H2S
  456.8,132.9,304.2,309.56,180., 431., 430.8,373.2, &
!  HF   SIF4   HCL   CH4    H2O    CH3CL  CH2CL2  CHCL3  CCL4   COCL2
  461.,259.,324.6,190.7,647.14,416.3, 510., 536.4,556.4, 455./
!             AR    H2    N2    O2    F2     CL2   NH3     N2H4
  DATA pcc/48.1,20.46,33.5,49.77,51.47, 76., 111.3, 145., &
!   HCN   C0     C02   N2O    NO     N2O2   S02     H2S   HF
  53.2, 34.95,73.9, 71.5,  64.,  100.,134.3, 78.8, 64., &
!  SIF4   HCL     CH4   H2O  CH3CL   CH2CL2 CHCL3  CCL4   COCL2
  36.7,  82.,  46.4, 218.,65.92, 60.0, 54.0, 45.0, 56.0/
 
END MODULE saxena_module
 
MODULE search_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: search_module                                             *
!                                                                            *
!     File Name: search_module.f90                                           *
!                                                                            *
!     Purpose:  Contains constants and variables for subroutine search       *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE search_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     gas              - Character*2 containing 'G'                          *
!     iend             - Character*4 containing 'ENDD'                       *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     constants_module - Contains various constants and sizes                *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  USE constants_module
 
  IMPLICIT none
 
  CHARACTER(len = gas_len),  PARAMETER :: gas  = 'G'
  CHARACTER(len = iend_len), PARAMETER :: iend = 'ENDD'
 
END MODULE search_module
 
MODULE redkw_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: redkw_module                                              *
!                                                                            *
!     File Name: redkw_module.f90                                            *
!                                                                            *
!     Purpose:  Contains interface for subroutine redkw and constants for    *
!               rkcalc                                                       *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE redkw_module                                                          *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     a            - Real array containing REDLICH-KWONG A values (divided by*
!                    one million                                             *
!     b            - Real array containing REDLICH-KWONG B values            *
!     r            - Real value of gas constant in CC BAR/DEG Mole           *
!     redlich_size - Integer value of size of the a and b Redlich-Kwong      *
!                    arrays                                                  *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     redkw       - Calculate compressibility factor and fugacity            *
!                                                                            *
!*****************************************************************************
!###
  IMPLICIT none
 
! Local size and dimension values
 
  INTEGER,PARAMETER  :: redlich_size = 26
 
  REAL,DIMENSION(redlich_size) ::  a
  REAL,DIMENSION(redlich_size) ::  b
!
!
!       THE FOLLOWING ARRAYS GIVE THE REDLICH-KWONG A AND B PARAMETERS
!       FROM HOLLOWAY 1987 IN BAR UNITS.
!       REDLICH-KWONG A AND B PARAMETERS, FROM HOLLOWAY 1987
!       THE A PARAMETER IS DIVIDED BY ONE MILLION
!
!          AR    H2     N2     O2     F2    CL2    NH3   N2H4   HCN
  DATA a/16.9, 1.81, 15.6, 17.5, 58.3, 13.6, 86.8, 100., 244., &
!    C0   C02   N2O    NO    N2O2     S02   H2S   HF   SIF4
   17.2, 83., 68.7, 19.8, 112.6, 133.1, 89.,78., 85.6, &
!    HCL  CH4  H2O  CH3CL   CH2CL2 CHCL3  CCL4   COCL2
   67.4, 32., 88.,156.0, 248.8,359.1,472.1,229.6/
!          AR    H2     N2     O2     F2    CL2    NH3   N2H4   HCN
  DATA b/22.3,15.34, 26.8, 22.1, 33.7,  39., 25.9,  60., 61., &
!    C0   C02   N2O      NO    N2O2    S02    H2S   HF  SIF4
   27.4,29.7, 30.8,   20., 30.7,  34.7, 20.,12.8,50.1, &
!    HCL    CH4   H2O    CH3CL CH2CL2 CHCL3  CCL4   COCL2
   28.12, 29.7, 14.6, 44.8, 60.4, 70.6, 87.8, 57.8/
!
!       GAS CONSTANT IN CC BAR/DEG MOLE
!
  REAL,PARAMETER :: r   = 82.05
 
  INTERFACE redkw_sub
 
    SUBROUTINE redkw( &
               bp, &
               a2b, &
               xlnfp)
 
      IMPLICIT none
      REAL,INTENT(inout) :: a2b
      REAL,INTENT(inout) :: bp
      REAL,INTENT(inout) :: xlnfp
 
    END SUBROUTINE redkw
 
  END INTERFACE redkw_sub
 
END MODULE redkw_module
 
MODULE rkcalc_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: rkcalc_module                                             *
!                                                                            *
!     File Name: rkcalc_module.f90                                           *
!                                                                            *
!     Purpose:  Contains interface for subroutines rkcalc and saxena         *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE rkcalc_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     rkcalc      -  Calculation of pure gas MRK properties                  *
!     saxena      -  High pressure corresponding states routines             *
!                                                                            *
!*****************************************************************************
!###
  IMPLICIT none
 
  INTERFACE rkcalc_sub
 
    SUBROUTINE rkcalc( &
               t, &
               p, &
               xlnf, &
               ij)
 
      IMPLICIT none
      REAL,INTENT(inout)    :: p
      REAL,INTENT(inout)    :: t
      REAL,INTENT(inout)    :: xlnf
      INTEGER,INTENT(inout) :: ij
 
    END SUBROUTINE rkcalc
 
  END INTERFACE rkcalc_sub
 
  INTERFACE SAXENA_SUB
 
    SUBROUTINE saxena( &
               tk, &
               pbar, &
               xlnf, &
               ij)
 
      IMPLICIT none
      REAL,INTENT(inout)    :: pbar
      REAL,INTENT(inout)    :: tk
      REAL,INTENT(inout)    :: xlnf
      INTEGER,INTENT(inout) :: ij
 
    END SUBROUTINE saxena
 
  END INTERFACE saxena_sub
 
END MODULE rkcalc_module
 
MODULE fpcalc_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: fpcalc_module                                             *
!                                                                            *
!     File Name: fpcalc_module.f90                                           *
!                                                                            *
!     Purpose:  Contains interface for subroutine fpcalc                     *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE fpcalc_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     fpcalc      - Calculate natural log of fugacity coefficients           *
!                                                                            *
!*****************************************************************************
!###
 
  IMPLICIT none
 
  INTERFACE fpcalc_sub
 
    SUBROUTINE fpcalc( &
               tk, &
               p, &
               xlnfp, &
               ij)
 
      IMPLICIT none
 
      INTEGER,INTENT(inout) :: ij
      REAL,INTENT(inout)    :: p
      REAL,INTENT(inout)    :: tk
      REAL,INTENT(inout)    :: xlnfp
 
    END SUBROUTINE fpcalc
 
  END INTERFACE fpcalc_sub
 
END MODULE fpcalc_module
 
MODULE molewt_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: molewt_module                                             *
!                                                                            *
!     File Name: molewt_module.f90                                           *
!                                                                            *
!     Purpose:  Contains interface for subroutine molwet                     *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE molewt_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     molewt      - Computes new base values for the reactants               *
!                                                                            *
!*****************************************************************************
!###
  IMPLICIT none
 
  INTERFACE molewt_sub
 
    SUBROUTINE molewt( &
               status)
 
      IMPLICIT none
 
      INTEGER,INTENT(inout) :: status
 
    END SUBROUTINE molewt
 
  END INTERFACE molewt_sub
 
END MODULE molewt_module
 
MODULE react_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: react_module                                              *
!                                                                            *
!     File Name: react_module.f90                                            *
!                                                                            *
!     Purpose:  Contains interface for subroutines react, search and thermp  *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE react_module                                                          *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     react       - Processes the react input records                        *
!     search      - Reads the thermo data and selects species to be used     *
!     thermp      - Selects the P-T pair from the Pi and Ti arrays to be     *
!                   considered in the current point                          *
!                                                                            *
!*****************************************************************************
!###
  IMPLICIT none
 
  INTERFACE react_sub
 
    SUBROUTINE react( &
               status)
 
      IMPLICIT none
      INTEGER,INTENT(inout) :: status
 
    END SUBROUTINE react
 
  END INTERFACE react_sub
 
  INTERFACE search_sub
 
    SUBROUTINE search( &
               status)
 
      IMPLICIT none
      INTEGER,INTENT(inout) :: status
 
    END SUBROUTINE search
 
  END INTERFACE search_sub
 
  INTERFACE thermp_sub
 
    SUBROUTINE thermp( &
               status)
 
      IMPLICIT none
      INTEGER,INTENT(inout) :: status
 
    END SUBROUTINE thermp
 
  END INTERFACE thermp_sub
 
END MODULE react_module
 
MODULE read_error_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: read_error_module                                         *
!                                                                            *
!     File Name: read_error_module.f90                                       *
!                                                                            *
!     Purpose:  Contains interface for subroutine read_error                 *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE read_error_module                                                     *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     None                                                                   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     read_error  - Process the status returned from a read                  *
!                                                                            *
!*****************************************************************************
!###
 
  IMPLICIT none
 
  INTERFACE error_read
 
    SUBROUTINE read_error( &
               unit, &
               message, &
               status)
 
      IMPLICIT none
      INTEGER,INTENT(in)     :: message
      INTEGER,INTENT(inout)  :: status
      INTEGER,INTENT(in)     :: unit
 
    END SUBROUTINE read_error
 
  END INTERFACE error_read
 
END MODULE read_error_module
 
MODULE out1_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: out1_module                                               *
!                                                                            *
!     File Name: out1_module.f90                                             *
!                                                                            *
!     Purpose:  Contains constants and variables for subroutine out1         *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 2003                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/03      0             Initial Release                *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE out1_module                                                           *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     ib              - Character*2 contining blanks                         *
!     io2             - Character*4 containing 'O2  '                        *
!     oxfug_value     - Real value of maximum size of oxygen fugacity        *
!     qfi_factor_1    - Real value of first value in calculating qfi         *
!     qfi_factor_2    - Real value of second value in calculating qfi        *
!     qfi_factor_3    - Real value of third value in calculating qfi         *
!     trace_limit     - Real value of limit of trace                         *
!     v_limit         - Real value of size of v value                        *
!     constants_module                                                       *
!     double_kind - Integer variable containing kind value for 15 bit        *
!                   precision                                                *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     constants_module   - Contains various constants and sizes              *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  USE constants_module
 
  IMPLICIT none
 
  REAL(kind = double_kind), PARAMETER    :: trace_limit   = 9.d-7
  REAL(kind = double_kind), PARAMETER    :: v_limit       = 1.d-100
 
  REAL,PARAMETER     :: oxfug_value   =  10000.0
  REAL,PARAMETER     :: qfi_factor_1  =  7.51
  REAL,PARAMETER     :: qfi_factor_2  =  29382.0
  REAL,PARAMETER     :: qfi_factor_3  =  0.050
 
  CHARACTER(len = ib_length),PARAMETER  :: ib  = ' '
  CHARACTER(len = io2_length),PARAMETER :: io2 = 'O2  '
 
END MODULE out1_module
 
MODULE eqlbrm_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: eqlbrm_module                                             *
!                                                                            *
!     File Name: eqlbrm_module.f90                                           *
!                                                                            *
!     Purpose:  Contains constants and variables for subroutine eqlbrm       *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 1973                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/73      0             Initial Release                *
!    R.L. Reese   06/01/03      A             Converted to FORTRAN 95        *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE eqlbrm_module                                                         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     aa               - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     ambda            - Real value of first control factor                  *
!     ambda1           - Real value of second control factor                 *
!     begin_iteration  - Logical variable used to determine if another       *
!                        iteration is to be done                             *
!     condense_end     - Logical variable used to determine if condense      *
!                        specie processing done                              *
!     converge_done    - Logical variable used to determine if convergence is*
!                        done                                                &
!     convg            - Logical variable used to test if convergence has    *
!                        been obtained                                       *
!     delg             - Real array of delta G values                        *
!     deln             - Real array containing log nj for gases and nj for   *
!                        condensed specie                                    *
!     enl              - Real value of log of en                             *
!     error_end        - Logical variable used to determine if error caused  *
!                        routine to exit                                     *
!     exit_loop        - Logical variable used to exit various loops         *
!     fco              - Real value of fugacity of CO                        *
!     fco2             - Real value of fugacity of CO2                       *
!     fh2              - Real value of fugacity of H2                        *
!     fh2o             - Real value of fugacity of H2O                       *
!     first_run        - Logical variable used to determine if it is first   *
!                        run                                                 *
!     get_itnumb       - Logical variable used to determine if a new itnumb  *
!                        is required                                         *
!     itnumb           - Integer value used to count number of iterations    *
!     jdelg            - Integer value used as location of condensed specie  *
!                        being inserted into system                          *
!     k1               - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     k2               - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     k4               - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     miss             - Logical variable used to determine if specie with   *
!                        lowest free energy or specie with second lowest     *
!                        free energy should be inserted into the system      *
!     ncond            - Integer value used to count number of condensed     *
!                        species present in current system                   *
!     negative_delta_g - Logical variable used to determine if negative delta*
!                        G occurred                                          *
!     no_converge      - Logical variable used to determine if no convergence*
!                        occurred                                            *
!     no_singular      - Logical variable used to determine if singular      *
!                        matrix occurred                                     *
!     num_int          - Integer value used to count number of initialations *
!     reset_initial    - Logical variable used to determine if needs to reset*
!                        initial estimates                                   *
!     singc            - Logical variable used to test if attempt to remove  *
!                        condensed species with same elements as last        *
!                        condensed specie added before singular matrix       *
!     size_1           - Real value used to control size of output values of *
!                        gaseous species                                     *
!     sizeg            - Real value used to store negative free energy value *
!                        of condensed specie with minimum delta G value      *
!     sum1             - Real value of absolute value of log nj/n - 9.2103404*
!                        divided by delta log nj - delta log n               *
!     sum_all          - Double precision value used to store delta log n in *
!                        obtaining corrections to estimates section and other*
!                        values                                              *
!     test_condense    - Logical variable used to test for condensed specie  *
!     ti               - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     ten              - Real value equal to en(j,npt)/totn(npt) in computing*
!                        free energy                                         *
!     tkk              - Double precision variable to use in calculation for *
!                        data in Janaf tables                                *
!     tvol             - Real value used as temporary storage in fugacity    *
!                        computation                                         *
!     wrong_phase      - Logical variable used to determine if wrong phase is*
!                        in the system                                       *
!     xlkc             - Real value used to calculate logs of equilibrium    *
!                        constants                                           *
!     xlkh             - Real value used to calculate logs of equilibrium    *
!                        constants                                           *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     ak1             - Double precision array to use in calculation for     *
!                       data in Janaf tables                                 *
!     ak2             - Double precision array to use in calculation for     *
!                       data in Janaf tables                                 *
!     ak4             - Double precision array to use in calculation for     *
!                       data in Janaf tables                                 *
!     asize_value     - Real value used for test of greatest delta G         *
!     deln_test       - Double precision value to use in testing deln        *
!     e               - Real value used as base of natural system of         *
!                       logarithims                                          *
!     fco_min         - Real value of default for fco and fco2               *
!     fco_multiply    - Real value multiplier for fco and fco2 fugacity      *
!                       calculation                                          *
!     fh2_min         - Real value of default for fh2                        *
!     fh2_multiply    - Real value multiplier for fh2 fugacity calculation   *
!     io2             - Character*2   = 'O2'                                 *
!     nco             - Character*2   = 'CO'                                 *
!     nco2            - Character*3   = 'CO2'                                *
!     nh2             - Character*2   = 'H2'                                 *
!     nh2o            - Character*3   = 'H2O'                                *
!     oxfug_value     - Real value multiplier for O2 fugacity calculation    *
!     eqlbrm_p        - Integer value of number of bits of precision for     *
!                       double precision                                     *
!     size_1_value    - Real initial value used for control size of output   *
!                       values of gaseous species                            *
!     smalno          - Real value used to reassign value of 1 x 10-6 to     *
!                       gaseous specie mole fraction the first time a        *
!                       singular matrix occurs                               *
!     smnol           - Real value used to reassign value of -13.815511 to   *
!                       gaseous specie log nj value the first time a singular*
!                       matrix occurs if the mole fraction is not equal to 0 *
!     sum_all_compare - Real value used to compare sum_all variable          *
!     sum_all_test    - Real value used to test sum_all variable             *
!     sum1_value      - Real value default for sum1                          *
!     ten_compare     - Real value used in comparison of temp value for      *
!                       fugacity calculation                                 *
!     constants_module                                                       *
!     ak1_size        - Integer value of size of ak1 array                   *
!     ak2_size        - Integer value of size of ak2 array                   *
!     ak4_size        - Integer value of size of ak4 array                   *
!     delg_size       - Integer value of size of delg array                  *
!     deln_size       - Integer value of size of deln array                  *
!     gas1_len        - Integer value of length of first type of gas char    *
!     gas2_len        - Integer value of length of second type of gas char   *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     constants_module - Contains constants for the size and types of global *
!                        variables                                           *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  USE constants_module
 
  IMPLICIT none
 
  REAL(kind = double_kind),PARAMETER :: deln_test = 0.9d-99
 
  REAL,PARAMETER :: asize_value     = -1.E+36
  REAL,PARAMETER :: e               = 2.7182818
  REAL,PARAMETER :: fco_min         = 1.E-20
  REAL,PARAMETER :: fco_multiply    = 2.0
  REAL,PARAMETER :: fh2_min         = 1.E-20
  REAL,PARAMETER :: fh2_multiply    = 2.0
  REAL,PARAMETER :: oxfug_value     = 0.434294
  REAL,PARAMETER :: size_1_value    = 18.420681
  REAL,PARAMETER :: smalno          = 1.E-6
  REAL,PARAMETER :: smnol           = -13.815511
  REAL,PARAMETER :: sum_all_compare = 0.5E-5
  REAL,PARAMETER :: sum_all_test    = 2.0
  REAL,PARAMETER :: sum1_value      = -9.212
  REAL,PARAMETER :: ten_compare     = 5.E-6
 
  CHARACTER(len = gas1_len),PARAMETER :: io2  = 'O2'
  CHARACTER(len = gas1_len),PARAMETER :: nco  = 'CO'
  CHARACTER(len = gas2_len),PARAMETER :: nco2 = 'CO2'
  CHARACTER(len = gas1_len),PARAMETER :: nh2  = 'H2'
  CHARACTER(len = gas2_len),PARAMETER :: nh2o = 'H2O'
 
  LOGICAL :: begin_iteration
  LOGICAL :: condense_end
  LOGICAL :: converge_done
  LOGICAL :: convg
  LOGICAL :: error_end
  LOGICAL :: exit_loop
  LOGICAL :: first_run
  LOGICAL :: get_itnumb
  LOGICAL :: miss
  LOGICAL :: negative_delta_g
  LOGICAL :: no_converge
  LOGICAL :: no_singular
  LOGICAL :: singc
  LOGICAL :: reset_initial
  LOGICAL :: test_condense
  LOGICAL :: wrong_phase
 
  REAL,SAVE :: ambda
  REAL,SAVE :: ambda1
  REAL,SAVE :: enl
  REAL,SAVE :: fco
  REAL,SAVE :: fco2
  REAL,SAVE :: fh2
  REAL,SAVE :: fh2o
  REAL,SAVE :: size_1
  REAL,SAVE :: sizeg
  REAL,SAVE :: sum1
  REAL,SAVE :: ten
  REAL,SAVE :: tvol
  REAL,SAVE :: xlkc
  REAL,SAVE :: xlkh
 
  REAL,DIMENSION(delg_size),SAVE :: delg
 
  REAL(kind = double_kind),SAVE :: aa
  REAL(kind = double_kind),SAVE :: k1
  REAL(kind = double_kind),SAVE :: k2
  REAL(kind = double_kind),SAVE :: k4
  REAL(kind = double_kind),SAVE :: sum_all
  REAL(kind = double_kind),SAVE :: ti
  REAL(kind = double_kind),SAVE :: tkk
 
  REAL(kind = double_kind),DIMENSION(deln_size),SAVE :: deln
 
  INTEGER,SAVE :: itnumb
  INTEGER,SAVE :: jdelg
  INTEGER,SAVE :: ncond
  INTEGER,SAVE :: num_int
 
! ***
!       COEFFICIENTS FOR EQUILIBRIUM CONSTANTS FROM DATA IN JANAF TABLES
!       k1: C+O2 = CO2; k2:C+.5O2 = CO;k4: H2+.5O2 = H2O
!       EQUATION FORM IS LOG10(K) = A1+A2*T+A3*T**2 ... AND FIT FROM 500-2300K
! ***
!
  REAL(kind = double_kind),DIMENSION(ak1_size),PARAMETER :: ak1 = &
      (/.114463D3,-.243442D2,.248074D1,-.114863D0,.584013d-3,&
      .154925d-3,-.555708d-5,.592449d-7/)
  REAL(kind = double_kind),DIMENSION(ak2_size),PARAMETER :: ak2 = &
      (/.36845D2,-.689197D1,.711475D0,-.337899d-1,.223693d-3, &
      .4365d-4,-.162723d-5,.178614d-7/)
  REAL(kind = double_kind),DIMENSION(ak4_size),PARAMETER :: ak4 = &
      (/.687667D2,-.153556D2,.158928D1,-.759149d-1,.535197d-3,  &
      .96958d-4,-.366479d-5,.407351d-7/)
 
END MODULE eqlbrm_module
 
MODULE indx_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: indx_module                                               *
!                                                                            *
!     File Name: indx_module.f90                                             *
!                                                                            *
!     Purpose:  Contains index constants and variables                       *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 1973                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/73      0             Initial Release                *
!    R.L. Reese   06/01/03      A             Converted to FORTRAN 95        *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE indx_module                                                           *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     alter        - Logical variable used to indicate reactant mole         *
!                    mole fractions with unequal top and base values         *
!                    are to be altered                                       *
!     imat         - Integer variable used as number of rows in matrix       *
!     iq1          - Integer variable used as number of elements plus the    *
!                    number of condensed species included in matrix          *
!                    equations plus one                                      *
!     kase         - Integer identification number for problem being         *
!                    considered                                              *
!     nc           - Integer value of number of condensed species being      *
!                    considered in the system                                *
!     newmol       - Integer variable used in react, search  and molewt.     *
!                    Reset and initialized in this routine                   *
!     nlm          - Integer value of number of elements in the system       *
!     nmin         - Integer value of number of elements that are put        *
!                    into temporary storage for systm and plus problems      *
!     nmix         - Integer variable used as increment multiplier for mole  *
!                    fraction computations in plus and systm problems        *
!     nomit        - Integer value of number of species to be omitted        *
!     np           - Integer variable used as number of P values input       *
!     npt          - Integer variable used as index for data saved for output*
!     nrat         - Integer variable used to determine if the reactants     *
!                    should be added or incremented in systm and plus        *
!                    problems                                                *
!     nreac        - Integer value containing number of reactant records     *
!     ns           - Integer variable of number of species being considered  *
!                    in the system                                           *
!     nsert        - Integer value of number of species listed on            *
!                    insert Records                                          *
!     nt           - Integer variable used as number of T values input       *
!     plus         - Logical variable used to indicate if reactants are to be*
!                    added to the system or if a ternary system is being     *
!                    considered                                              *
!     systm        - Logical variable used to denote that a ternary          *
!                    system is being considered                              *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     add_factor      - Integer value to multiply add by for comparison      *
!     bigno           - Real value that stores value of 1 x 1038 to be used  *
!                       for locating the maximum coefficient in each row of  *
!                       the matrix                                           *
!     th              - Real value  = 0.333333D0                             *
!     zerot_value     - Integer value to use for rtest test                  *
!     constants_module                                                       *
!     double_kind     - Integer variable containing kind value for 15 bit    *
!                       precision                                            *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     constants_module - Contains various constants for sizes and counters   *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  USE constants_module
 
  IMPLICIT none
 
  INTEGER,SAVE              :: imat
  INTEGER,SAVE              :: iq1
  INTEGER,SAVE              :: kase
  INTEGER,SAVE              :: nc
  INTEGER,SAVE              :: newmol
  INTEGER,SAVE              :: nlm
  INTEGER,SAVE              :: nmin
  INTEGER,SAVE              :: nmix
  INTEGER,SAVE              :: nomit
  INTEGER,SAVE              :: np
  INTEGER,SAVE              :: npt
  INTEGER,SAVE              :: nrat
  INTEGER,SAVE              :: nreac
  INTEGER,SAVE              :: ns
  INTEGER,SAVE              :: nsert
  INTEGER,SAVE              :: nt
 
  REAL(kind = double_kind),PARAMETER :: bigno = 1.E+38
 
  REAL,PARAMETER       :: add_factor  = 0.5
  REAL,PARAMETER       :: th          = 0.333333D0
  REAL,PARAMETER       :: zerot_value = 1.0E-4
 
  LOGICAL,SAVE         :: alter
  LOGICAL,SAVE         :: base_add
  LOGICAL,SAVE         :: plus
  LOGICAL,SAVE         :: systm
 
END MODULE indx_module
 
MODULE misc_module
!###
!*****************************************************************************
!                                                                            *
!     Module Name: misc_module                                               *
!                                                                            *
!     File Name: misc_module.f90                                             *
!                                                                            *
!     Purpose:  Contains index constants and variables                       *
!                                                                            *
!     Author:    Robert L. Reese                                             *
!                                                                            *
!     Date: June 01, 1973                                                    *
!                                                                            *
!     Language:  Salford FORTRAN 95, Version 0.9.0                           *
!                                                                            *
!     Hardware: IBM Cosmpatible PC                                           *
!                                                                            *
!     Operating System: Microsoft Windows 98                                 *
!                                                                            *
!     Update History:                                                        *
!                                                                            *
!     Name        Date      Revision          Changes                        *
!     ----        ----      ---------         -------                        *
!                                                                            *
!    R.L. Reese   06/01/73      0             Initial Release                *
!    R.L. Reese   06/01/03      A             Converted to FORTRAN 95        *
!    R.L. Reese   03/28/06      B             Added new_thermo to file       *
!                                             Added E to atom tables         *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!  Usage:                                                                    *
!                                                                            *
!  USE misc_module                                                           *
!                                                                            *
!----------------------------------------------------------------------------*
!                                                                            *
!     Definitions:                                                           *
!                                                                            *
!     Local Variables:                                                       *
!     ----------------                                                       *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Global Variables:                                                      *
!     -----------------                                                      *
!                                                                            *
!     add             - Real array containing increment of ith reactant mole *
!                       fraction                                             *
!     anum            - Real value of stochiometric coefficients of elements *
!                       in the reactant records                              *
!     base            - Real value of first value of mole fraction of ith    *
!                       reactant                                             *
!     bo              - Real array used as assigned Kg-atoms of element i per*
!                       Kg of total reactant                                 *
!     enn             - Real value of n, moles of miture, KG-moles/KG        *
!     ennl            - Real value of log of enn                             *
!     gamma           - Real array of fugacity coeffiecients for gases       *
!     idata           - Character*4 array used to read code record names     *
!                       to determine what input data follows                 *
!     infile          - Character*80 variable for input file name            *
!     llmt            - Character*4 array containing alphameric symbols for  *
!                       the elements in the system being studied             *
!     name            - Character*4 containing alphameric symbols for the    *
!                       elements as given in the reactant records            *
!     new_thermo      - Logical flag indicating if old or new thermo data is *
!                       to be used.                                          *
!                       = F, old type will be used                           *
!                       = T, new type will be used                           *
!     noconv          - Integer value that accumulates number of times there *
!                       is no solution to a T-P point                        *
!     outfile         - Character*80 variable for output file name           *
!     pp              - Real value of assigned P for current point           *
!     pressure_num    - Integer number of input pressure values              *
!     re_read         - Character*80 buffer used to read previous record     *
!     sumn            - Real value of moles of mixture sumation              *
!     temp_number     - Integer number of input temperature values           *
!     thermofile      - Character*80 variable for thermo file name           *
!     tm              - Real value of log P divided by n                     *
!     top             - Real array containing final value of mole fraction of*
!                       ith reactant                                         *
!     tri             - Real variable containing increment value of mole     *
!                       fraction for all reactants of ternary system         *
!     tt              - Real value of assigned T for current point           *
!     vol             - Real value of molar volume of species                *
!                                                                            *
!     Local Common Blocks:                                                   *
!     -------------------                                                    *
!                                                                            *
!     None                                                                   *
!                                                                            *
!     Constants:                                                             *
!     ---------                                                              *
!                                                                            *
!     constants_module                                                       *
!     double_kind     - Integer variable containing kind value for 15 bit    *
!                       precision                                            *
!     atom            - Real array containing atomic weight of the elements  *
!     blank           - Character*1 containing blank character               *
!     ennl_initial    - Real value of initial value of ennl                  *
!     enn_initial     - Real value of initial value of enn                   *
!     file_length     - Integer value of number of characters in file name   *
!     iatom           - Character*2 array containing atomic symbol of        *
!                       elements                                             *
!     iatom_length    - Integer length of iatom characters                   *
!     idata_length    - Integer length of the idata array                    *
!     insert          - Character*4 containing code word indicating a        *
!                       record containg species to be included in run        *
!                       has been read                                        *
!     istop           - Character*4 containing code word indicating end      *
!                       of input records found                               *
!     kelvin          - Integer value of Kelvin conversion factor            *
!     lank            - Character*4 containing blanks                        *
!     len_blank       - Integer value of length of blank character           *
!     len_char        - Integer value used as len of char to replace default *
!                       length of 4 characters in one word for FORTRAN 4 and *
!                       FORTRAN 77                                           *
!     max_atoms       - Integer containing maximum number of atoms           *
!     message         - Chracter array  containing error messages to output  *
!     message_numbers - Integer value of number of error messages            *
!     mit             - Character*4 containing code word indicating omit     *
!                       records found in input file                          *
!     name_list       - Character*4 containing code word indicating name     *
!                       list values found in input file                      *
!     nnames          - Integer value number of built in species             *
!     po_test         - Real value used to initialize po in fpcalc           *
!     r               - Real value of universal gas constant                 *
!     reac            - Character*4 containing code to indicate Reactant     *
!                       input records being processed                        *
!     react_sets      - Integer value of maximum number of reactant records  *
!     react_values    - Integer value of maximum number of reactant values   *
!                       per reactant records(sets)                           *
!     reread_length   - Integer value of length of re-read buffer for        *
!                       subroutine read_error                                *
!     species_max     - Integer value of maximum number of species allowed   *
!     t_p_default     - Real value of temperature or pressure default value  *
!     zero_test_1     - Real value for first test for variance in testing for*
!                       zero                                                 *
!     zero_test_2     - Real value for second test for variance in testing   *
!                       for zero                                             *
!     zero_test_3     - Real value for third test for variance in testing for*
!                       zero                                                 *
!                                                                            *
!     Modules:                                                               *
!     --------                                                               *
!     constants_module - Contains various contants and sizes                 *
!                                                                            *
!     Interfaces:                                                            *
!     -----------                                                            *
!                                                                            *
!     None                                                                   *
!                                                                            *
!*****************************************************************************
!###
 
  USE constants_module
 
  IMPLICIT none
 
  REAL,SAVE                   :: enn
  REAL,SAVE                   :: ennl
  REAL,SAVE                   :: pp
  REAL,SAVE                   :: sumn
  REAL,SAVE                   :: tm
  REAL,SAVE                   :: tri
  REAL,SAVE                   :: tt
 
  REAL,DIMENSION(react_sets),SAVE                 :: add
  REAL,DIMENSION(react_sets,react_values),SAVE    :: anum
  REAL,DIMENSION(react_sets),SAVE                 :: base
  REAL,DIMENSION(react_sets),SAVE                 :: bo
  REAL,DIMENSION(react_sets),SAVE                 :: top
  REAL,DIMENSION(species_max),SAVE                :: vol
 
  REAL(kind = double_kind), DIMENSION(species_max),SAVE     :: gamma
 
  INTEGER :: temp_number
  INTEGER :: pressure_num
 
  INTEGER,SAVE  :: noconv
 
  LOGICAL,SAVE  :: new_thermo
 
!    Atomic Weights.
 
  REAL,DIMENSION(max_atoms),PARAMETER :: atom = (/ &
        1.00797,  4.0026,   6.939,  9.0122,  10.811, 12.01115, 14.0067,  &
        15.9994, 18.9984,  20.183, 22.9898,  24.312,  26.9815,  28.086, &
        30.9738,  32.064,  35.453,  39.948,  39.102,  40.0800,  44.956, &
        47.90  ,  50.942,  51.996,  54.938,  55.847,  58.9332,  58.710, &
        63.54  ,  65.370,  69.720,  72.590, 74.9216,  78.96  ,  79.909, &
        83.80  ,  85.470,  87.620,  88.905,  91.220,  92.906 ,  95.940, &
        99.00  , 101.070, 102.905, 106.400, 107.870, 112.400 , 114.820, &
       118.69  , 121.750, 127.600,126.9044, 131.300, 132.905 , 137.340, &
       138.910 , 140.120, 140.907, 144.240, 145.000, 150.350 , 151.960, &
       157.250 , 158.924, 162.500, 164.930, 167.260, 168.934 , 173.040, &
       174.997 , 178.490, 180.948, 183.850, 186.200, 190.200 , 192.200, &
       195.090 , 196.967, 200.590, 204.370, 207.190, 208.980 , 210.000, &
       210.000 , 222.000, 223.000, 226.000, 227.000, 232.038 , 231.000, &
       238.030 , 237.000, 242.000, 243.000, 247.000, 249.000 , 251.000, &
       254.000 , 253.000, 2.014102,.000548579903/)
 
  REAL,PARAMETER          :: enn_initial = .1
  REAL,PARAMETER          :: ennl_initial = -2.3025851
  REAL,PARAMETER          :: kelvin = 273.15
  REAL,PARAMETER          :: po_test = 4000.0
  REAL,PARAMETER          :: r = 8314.3/4184.
  REAL,PARAMETER          :: t_p_default = -32767.0
  REAL,PARAMETER          :: zero_test_1 = 1.0E-03
  REAL,PARAMETER          :: zero_test_2 = 1.0E-06
  REAL,PARAMETER          :: zero_test_3 = 1.0E-10
 
  CHARACTER(len = len_char),DIMENSION(idata_length),SAVE            :: idata
  CHARACTER(len = len_char),DIMENSION(react_sets),SAVE              :: llmt
  CHARACTER(len = len_char),DIMENSION(react_sets,react_values),SAVE :: name
  CHARACTER(len = len_char),DIMENSION(nnames),SAVE   :: names = &
  (/'AR  ','H2  ','N2  ','O2  ','F2  ','CL2 ','NH3 ','N2H4', &
   'HCN ','CO  ','CO2 ','N2O ','NO  ','N2O4','SO2 ','H2S ','HF  ', &
   'SIF4','HCL ','CH4 ','H2O ','CHCL','CH2C','CH3C','CCL4','COCL'/)
 
!    Atomic Symbols.
 
  CHARACTER(len = iatom_length),DIMENSION(max_atoms),PARAMETER  :: iatom = (/ &
       'H ', 'HE', 'LI', 'BE', 'B ', 'C ', 'N ', 'O ', 'F ', 'NE', 'NA', &
       'MG', 'AL', 'SI', 'P ', 'S ', 'CL', 'AR', 'K ', 'CA', 'SC', 'TI', &
       'V ', 'CR', 'MN', 'FE', 'CO', 'NI', 'CU', 'ZN', 'GA', 'GE', 'AS', &
       'SE', 'BR', 'KR', 'RB', 'SR', 'Y ', 'ZR', 'NB', 'MO', 'TC', 'RU', &
       'RH', 'PD', 'AG', 'CD', 'IN', 'SN', 'SB', 'TE', 'I ', 'XE', 'CS', &
       'BA', 'LA', 'CE', 'PR', 'ND', 'PM', 'SM', 'EU', 'GD', 'TB', 'DY', &
       'HO', 'ER', 'TM', 'YB', 'LU', 'HF', 'TA', 'W ', 'RE', 'OS', 'IR', &
       'PT', 'AU', 'HG', 'TL', 'PB', 'BI', 'PO', 'AT', 'RN', 'FR', 'RA', &
       'AC', 'TH', 'PA', 'U ', 'NP', 'PU', 'AM', 'CM', 'BK', 'CF', 'ES', &
       'FM', 'D ', 'E '/)
 
  CHARACTER(len = *),DIMENSION(message_numbers),PARAMETER :: message = &
                  (/' ERROR IN ABO