APPENDIX H
LEASE PROGRAM VARIABLES
MAIN Variables
Symbol
Description
A
Elements of the matrix.
AN
(a
6
- H
o
298
) / R, Stores the value of the 6
th
coefficient minus enthalpy divided by R.
ANS
a
ij
, (i = 1,.....,7),(j = 1,2); coefficients derived from matrix solution.
AV
Logical variable to test if values should be constrained to be equal at 1000
o
K.
B
Stoichiometric coefficient of elements of species.
C
Answer region of matrix solution.
CCPR
C
p
/ R calculated from the coefficients.
CHHRT
H
t
- H
298
/ RT calculated from the coefficients.
CP
Heat capacity of species in calories.
CPR
C
p
/ R calculated from the coefficients.
CPRE
Percentage of error between calculated C
p
/ R and C
p
/R used in the calculations.
CSR
S/R calculated from the coefficients.
DATE1
DATE2
Reference code and date of data used to calculate the coefficients.
DH
Enthalpy value of specie at 298.15
o
K.
HHRT
H
t
- H
298
/ RT, Heat content of species divided by RT.
HHRTE
Percentage of error between calculated H
t
- H
298
/ RT and H
t
- H
298
/ RT used in the calculations.
HOO
Enthalpy at 0
o
in Kcal.
HOOM
HOO converted to calories.
HTH
Heat content of specie in Kcal.
HTHO
Heat content converted to calories.
83
Symbol
Description
HTHOE
Percentage of error between heat content calculated from heat capacity and heat content input.
I, II, J,
JJ, N
Do loop indices.
ISPECI
Alphameric name of species being considered.
K
Temporary storage of KK in calculation of matrix elements. Do loop limit in matrix reflection and solution.
KK
Position of transition T.
KOUNT
Counts number of lines printed. Used for page control.
L, LL
Limits of the set of input values being considered.
LAST
Control word that indicates the last card has been read.
LP
Locates last point of input values being considered.
LT
ln T, logarithm of the T being considered.
M
Determines which set of input values is being considered.
MM
Determines which set of coefficients is being stored in ANS array.
MP
Locates minimum point of input values being considered.
MT
Alphameric name of element of species being considered.
ND
Number of points to consider in averaging corresponding values in calculating heat capacity.
NDEG
Number of degrees for polynomial fit.
NP
Temporary storage of NPTS.
NPTS
Number of points before and/or after transition T.
PHAZ
Phase of species being considered.
PTS
NPTS converted to a floating point variable.
R
Universal gas constant.
RCP
Logical variable to test if heat capacity should be calculated from H
t
- H
298
. values.
84
Symbol
Description
RT
Temporary storage of RT.
SR
Temporary storage of S
t
/ R.
SRE
Percentage of error between S
t
/ R calculated from the coefficients and S
t
/ R used in the calculations.
ST
Entropy values of species at T in calories.
T
T values read for each specie.
TO
T of transition point.
TT
T being considered.
T1
T2
T range of specie being considered.
VOL
Molar volume of specie.
EQFIND Variables
Symbol
Description
A
Stores SUM for transfer to subroutine ENXEN.
AC
Coefficients of an n degree polynomial.
HTH
Heat content of specie at T.
I, J, K
Do loop indices.
II
Upper position of H
t
- H
298
value being considered.
JC
Counter to determine which T interval is being considered ( 1 => 1000
o
, 2 =<1000
o
).
KK
Lower position of H
t
- H
298
value being considered.
L
Locates position of H
t
- H
298
and C
p
value being stored.
LB
Number of degrees plus one.
LDEG
Stores value of NDEG.
LS
Number of degrees plus two.
LV
Stores value of number of degrees (NDEG).
85
Symbol
Description
M
Determines which NPT value is being considered.
MNO
Counter to determine which H
t
- H
298
and T is being stored in A.
MMNO
Counter to determine which SUM is being stored in A.
ND
Number of readings being considered in one pass.
NDEG
Number of degrees in polynomial.
NP
Stores value of current NPTS.
NPIND
Calculates value of MMNO.
NPTS
Total number of points (H
t
- H
298
values) being considered.
P
T
i
, (i = 1, LV) or ( i = LB, LS).
SUM
ΣP
i
(i = 1, LV) or (i = LB, LS).
TCP
Temporary storage of calculated heat capacity.
THCALC
Temporary storage of calculated heat content.
TT
T being considered.
X
Multiplier factor in final computation of heat capacity (X = 1,....,NDEG-2) .
ENXEN Variables
Symbol
Description
A
Transfers value of SUM from EQFIND.
AC
Coefficients of an n degree polynomial.
I, J, K
Do loop indices.
IBIDIG
IDIAG
IJK
ISUB
Control indices to locate value of A being considered.
L
Stores value of NDEG transferred from EQFIND.
LV
Transfers value of NDEG from EQFIND.
N
NDEG - 1, do loop upper limit.
86
Symbol
Description
NEILS
Counter to locate value of A being considered.
AVE Variables
Symbol
Description
AA
Number of C
p
and H
t
- H
298
values for each T.
ACP
Average heat capacity value at 1000
o
K.
AV
Logic test to determine if points are to be constrained to fit at 1000
o
K.
CP
Computed heat capacity.
CPP
Temporary storage for heat capacity.
CPSUM
Summation of heat capacity for ND points.
HC
Temporary storage for calculated heat content.
HCALC
Computed heat content.
HE
Temporary storage for heat content computation error.
HSUM
Summation of computed heat content for ND points.
HT
Temporary storage for input heat content.
HTH
Heat content from input cards.
HTHOE
Percentage of error between computed heat content and heat content read from input cards.
I, J
Do loop indices.
II, JC
Counter to locate heat capacity and heat content values being averaged.
JJ
Lower column number of values being averaged.
K
Upper column number of values being averaged.
KKK
Position of values being stored.
LP
Upper limit of values being removed from storage.
M
Position of NPTS value being considered.
87
Symbol
Description
MDEG
Cross over point where number of rows begins to decrease.
MP
Location of minimum value of points being considered.
ND
Stores current NPTS value.
NPTS
Number of values below and above 1000
o
K.
S
Temporary storage for entropy.
ST
Entropy read from input cards.
T
Temporary storage for T.
TCP
Temporary storage for heat capacity.
THCALC
Temporary storage for calculated heat content.
TT
T read from input cards.
PUNCH Variables
Symbol
Description
ANS
Coefficients derived from matrix: solution.
AV
Logic test to determine if one or two sets of coefficients are to be punched.
B
Stoichiometric coefficient of elements in current specie.
DATE1
DATE2
Reference code and date of source of data used in the calculations.
I ,J ,K
Do loop indices.
ISPECI
Alphameric name of specie being considered.
MD
Fixed point number used to identify the sequence of coefficient cards.
MM
Locates set of coefficients to be set to zero.
MT
Alphameric name of element in current specie.
PHAZ
Phase of species being considered.
TT
First T used in the calculations.
88
Symbol
Description
T1
T2
Lower and upper limits of T range of specie.
VOL
Molar volume of the specie.
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