Coker A.K. Fortran Programs for Chemical Process Design, Analysis, and Simulation
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END
***************************************************************
THIS PROGRAM CALCULATES THE THERMAL CONDUCTIVITY OF WATER
***************************************************************
SUBROUTINE PROG4 (TK, THERM1, N)
DIMENSION TK(I:50), THERMI(I:50)
INTEGER N
CORRELATION CONSTANTS OF WATER
A = -916.62
B = 12.5473
C = -.015212
CALCULATE THE THERMAL CONDUCTIVITY OF WATER
DO I = i, N - 1
THERMI (I) = A + (B*TK(I)) + (C*TK(I)**2)
END DO
RETURN
END
***************************************************************
THIS PROGRAM CALCULATES THE SURFACE TENSION OF WATER
FROM 0oC TO 374.2oC.
SURFACE TENSION ST=STI*((TC-T)/(TC-TI))^NI
FOR 0 < T < 100oC, STI=71.97, TC=374.2oC, TI=25.0oC.
FOR i00 < T < 374.2oC, STI=58.91, TC=374~ TI=I00oC.
*****************************************************************
SUBROUTINE PROG5 (TK, ST, N)
DIMENSION TK(I:50), ST(1:50)
REAL N1, N2
CALCULATE THE SURFACE TENSION BETWEEN 0oC AND 50oC.
ST1 = 71.97
TC = 374.2 + 273.16
T1 = 25.0 + 273.16
N1 = 0.8105
DO I = i, 3
ST(I) = ST1 * ((TC-TK(I))/(TC-TI))**NI
END DO
CALCULATE THE SURFACE TENSION BETWEEN 100oC AND 374.2oC.
ST2 = 58.91
T2 = 100.0 + 273.16
N2 = 1.169
DOI=4, N
ST(I) = ST2 * ((TC-TK(I))/(TC-T2))**N2
END DO
137
RETURN
END
*************************************************************
THIS PROGRAM CALCULATES THE VAPOR PRESSURE OF WATER FROM
0oC TO 374.2 oC.
*************************************************************
SUBROUTINE PROG6 (TK, VPI, N)
DIMENSION TK (1:50), VPl (1:50)
CORRELATION CONSTANTS OF WATER
A = 16.373
B = -2818.6
C = -1.6908
D = -0.0057546
E = 0.0000040073
CALCULATE THE VAPOR PRESSURE
DO I = i, N
VPI(I) = A + (B/TK(I))+(C*ALOGI0(TK(I)))+(D*TK(I))+(E*TK(I)**2)
VPl(I) =
10**VPI(I)
END DO
RETURN
END
****************************************************************
THIS PROGRAM CALCULATES THE HEAT OF VAPORIZATION OF WATER
FROM 0oC TO 374.2 oC.
****************************************************************
SUBROUTINE PROG7 (TK, HV1, N)
DIMENSION TK(I:50), HV1(1:50)
CORRELATION CONSTANTS OF WATER
THV= 538.7
T1 = i00.0 + 273.16
TC = 374.2 + 273.16
R=0.38
CALCULATE THE HEAT OF VAPORIZATION
DO I = i, N
HVI(I) = THV*( ((TC-TK(I))/(TC-TI) )**R)
END DO
RETURN
END
138
i00
Ii0
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120
125
PROGRAM PROG22
*************************************************************
THIS PROGRAM CALCULATES THE PHYSICAL PROPERTIES OF GASES
AT A TEMPERATURE RANGE FROM 300K TO 1500K FOR SOME GASES
AND 26.8oC TO i026.8oC FOR OTHERS.
THE PROGRAM WILL CALCULATE THE FOLLOWING PHYSICAL PROPERTIES
1. HEAT OF FORMATION HF kcal/mol.
2. FREE ENERGY OF FORMATION GF kcal/mol
3. HEAT CAPACITY HC cal/gm-mol K.
4. THERMAL CONDUCTIVITY THER (micro-ca1 /s.cm.K)
5. VISCOSITY VIS cP.
*************************************************************
DIMENSION T (1:50), HF (1:50), GF (1:50), HC (1:50)
DIMENSION THER (1:50), VIS (1:50), TK (1:50)
INTEGER N
OPEN FILE TO PRINT THE RESULTS.
OPEN (UNIT = 1, FILE = 'PRN')
INPUT THE NUMBER OF DATA AND THE VALUES OF THE TEMPERATURE
FOR WHICH THE PHYSICAL PROPERTIES ARE CALCULATED.
DATA N /13/
DATA TK(1)/300.0/, TK(2)/400.0/, TK(3)/500.0/, TK(4)/600.0/
DATA TK(5)/700.0/, TK(6)/800.0/, TK(7)/900.0/, TK(8)/1000.0/
DATA TK(9)/II00.0/, TK(10)/1200.0/, TK(II)/1300.0/
DATA TK(12)/1400.0/, TK(13)/1500.0/
WRITE (1, 100)
FORMAT (//, 1H , 25X, 'PHYSICAL PROPERTY DATA OF GASES',
/IH ,78(IH*) )
WRITE (1, 110)
FORMAT (//, 40X, 'TEMPERATURE RANGE (300 - 1500K) ' )
WRITE (i, 115)
FORMAT (78(IH-))
DOI=I, N
WRITE (i, 120) I, TK(I)
FORMAT (30X, I2, 10X, F8.2)
END DO
WRITE (i, 125)
FORMAT ( 78 ( IH- ) )
J= 1
GO TO (11, 22, 33, 44, 55), J
139
C
II
130
140
150
155
22
160
165
170
175
180
185
CALL THE PROGRAM TO CALCULATE THE HEAT OF FORMATION OF A GAS
CALL PROG1 (TK, HF, N)
WRITE (1, 130)
FORMAT (//, IH , 25X, 'HEAT OF FORMATION OF METHANE',
/1H , 78(1H*), /)
WRITE (1, 140)
FORMAT (20X,' TEMPERATURE K', 5X,'HEAT OF FORMATION kcal/mol'
/, 78(1H-), /)
DO I = i, N
WRITE (I, 150) I, TK(I), HF(I)
FORMAT (10X, I2, 10X, F6.1, 10X, F12.3)
END DO
WRITE (i, 155)
FORMAT (78(1H-))
J = J + 1
IF (J .EQ. 2) THEN
GO TO 5
ELSE
GO TO 900
ENDIF
CALL THE PROGRAM TO CALCULATE THE FREE ENERGY OF FORMATION
OF A GAS
CALL PROG2 (TK, GF, N)
WRITE (1, 160)
FORMAT (//, IH , 25X, "THE FREE ENERGY OF FORMATION OF',\)
WRITE (1, 165)
FORMAT(' ETHYLENE kcal/mol.', /1H ,78(1H*), /)
WRITE (1, 170)
FORMAT(20X,'TEMPERATURE K',5X,'FREE ENERGY OF FORMATION:kcal/mol')
WRITE (1, 175)
FORMAT (78(IH-), /)
DO I = i, N
WRITE (I, 180) I, TK(I), GF(I)
FORMAT (10X, I2, 10X, F6.1, 10X, F12.3)
END DO
WRITE (1, 185)
FORMAT (78(IH-))
J=J+l
IF (J .EQ. 3) THEN
GO TO 5
ELSE
GO TO 900
ENDIF
CALL THE PROGRAM TO CALCULATE HEAT CAPACITY OF CARBON DIOXIDE
140
33
190
200
210
215
44
220
230
235
240
245
CALL PROG3 (TK, HC, N)
WRITE (1, 190)
FORMAT (//, 1H , 25X, 'HEAT CAPACITY OF CARBON DIOXIDE',
/ZH
,TS (ZH*))
WRITE (1, 200)
FORMAT (20X, 'TEMPERATURE K', 5X, "HEAT CAPACITY cal/gm-mol.K',
/,
78(1H-),
/)
DO I = i, N
WRITE (1, 210) I, TK(I), HC(I)
FORMAT (10X, I2, 15X, F6.1, 5X, F12.3)
END DO
WRITE (1, 215)
FORMAT ( 78 (IH-) )
J = J + 1
IF (J 9 EQ. 4) THEN
GO TO 5
ELSE
GO TO 900
ENDIF
CALL THE PROGRAM TO CALCULATE THE THERMAL CONDUCTIVITY OF GASES
CALL PROG4 (TK, THER, N)
WRITE (i, 220)
FORMAT(//,25X,'THERMAL CONDUCTIVITY OF PROPANE:26.8oC-1026.8oC',
/ZH
, 78(1H*))
WRITE (I, 230)
FORMAT (20X,'TEMPERATURE oC', 5X,'THERMAL CONDUCTIVITY',\)
WRITE (1, 235)
FORMAT(' micro-cal/s.cm.K', /, 78(IH-), /)
DO I = i, N-2
T(I) = TK(I) - 273.16
WRITE (1, 240) I, T(I), THER(I)
FORMAT (10X, I2, 10X, F6.1, 10X, F12.3)
END DO
WRITE (1, 245)
FORMAT (78(IH-))
J = J + 1
IF (J .EQ. 5) THEN
GO TO 5
ELSE
GO TO 900
ENDIF
CALL THE PROGRAM TO CALCULATE THE VISCOSITY OF ETHANE
141
55
250
260
270
275
900
C
CALL PROG5 (TK, VIS, N)
WRITE (i, 250)
FORMAT (//, IH ,25X, 'THE VISCOSITY OF ETHANE: 26.8oC-1026.8oC',
/IH , 78(IH*))
WRITE (i, 260)
FORMAT (20X, 'TEMPERATURE oC", 5X, 'VISCOSITY cP. ',
/,
78(1H-),
/)
DO I = 1, N- 2
T(I) = TK(I) - 273.16
WRITE (I, 270) I, T(I), VIS(I)
FORMAT (10X, I2, 10X, F6.1, 10X, F12.3)
END DO
WRITE (I, 275)
FORMAT ( 7 e ( IH- ) )
J= J + 1
IF (J . EQ. 6) THEN
GO TO 900
ELSE
ENDIF
CONTINUE
FORM FEED THE PRINTING PAPER TO TOP OF THE NEXT PAGE.
WRITE (I, *) CHAR (12)
CLOSE (UNIT = i)
STOP
END
THIS PROGRAM CALCULATES THE HEAT OF FORMATION OF METHANE
"PHYSICAL PROPERTIES BY C.L. YAWS et. al. PAGE 200
**************************************************************
SUBROUTINE PROG1 (TK, HF1, N)
DIMENSION TK(I:50), HFI(I:50)
INTEGER N
CORRELATION CONSTANTS OF METHANE
A = -15.4
B = -0.00959
C = 0.0000035
CALCULATE THE HEAT OF FORMATION OF METHANE, kcal/mol.
DO I = i, N
HFI(I) = A + (B*TK(I))+(C*TK(I)**2)
END DO
RETURN
END
142
THIS PROGRAM CALCULATES THE FREE ENERGY OF FORMATION OF
ETHYLENE PAGE 202, YAWS et. al.
*************************************************************
SUBROUTINE PROG2 (TK, GF1, N)
DIMENSION TK(I:50), GFI(I:50)
INTEGER N
CORRELATION CONSTANTS OF ETHYLENE
A=I0.4
B = 0.0181
CALCULATE THE FREE ENERGY OF FORMATION
DO I = i, N
GFI(I) = A + (B*TK(I))
END DO
RETURN
END
***************************************************************
THIS PROGRAM CALCULATES THE HEAT CAPACITY OF CARBON DIOXIDE
0oC-350oC (PAGE 198 Yaws et. al.)
***************************************************************
SUBROUTINE PROG3 (TK, HC1, N)
DIMENSION TK(I:50), HC1(1:50)
CORRELATION CONSTANTS OF CARBON DIOXIDE
A=5.41
B = 0.0154
C = -0.00000994
D = 0.00000000242
CALCULATE THE HEAT CAPACITY
DO I = i, N
HCI(I) = A + (B*TK(I))+(C*TK(I)**2)+(D*TK(I)**3)
END DO
RETURN
END
***************************************************************
THIS PROGRAM CALCULATES THE THERMAL CONDUCTIVITY OF PROPANE
PAGE 208 Yaws et al.
***************************************************************
SUBROUTINE PROG4 (TK, THERMI, N)
DIMENSION TK(I:50), THERMI(I:50)
INTEGER N
CORRELATION CONSTANTS OF PROPANE
143
A = 4.438
B = -0.01122
C = 0.0005198
D = -0.0000002008
CALCULATE THE THERMAL CONDUCTIVITY OF PROPANE
DO I = i, N - 2
THERMI(I) = A + (B*TK(I))+(C*TK(I)**2)+(D*TK(I)**3)
END DO
RETURN
END
***************************************************************
THIS PROGRAM CALCULATES THE VISCOSITY OF ETHANE FROM
0 - 1000 oC. PAGE 210 Yaws et al.
***************************************************************
SUBROUTINE PROG5 (TK, VIS1, N)
DIMENSION TK(I:50), VISI(I:50)
CORRELATION CONSTANTS OF ETHANE
A = 5.576
B = 0.3064
C = -0.00005307
CALCULATE THE VISCOSITY
DO I = I, N-2
VISI(I) = (A + (B*TK(I))+(C*TK(I)**2))*O.0001
END DO
RETURN
END
144
PROGRAM PROG23
*************************************************************
THIS PROGRAM CALCULATES THE DIFFUSION COEFFICIENTS
FOR LIQUID AND GAS PHASES.
DIFFUSION COEFFICIENT FOR LIQUID PHASE
THE PROGRAM USES THE WILKE-CHANG METHOD TO CALCULATE THE
DIFFUSION COEFFICIENT OF A BINARY MIXTURE OF SOLUTE A IN
SOLVENT B.
DABL
MBL
TKL
VISBL
VA
FACTOR
= DIFFUSION COEFFICIENT OF LIQUID PHASE cm^2/s.
= MOLECULAR WEIGHT OF SOLVENT B.
= ABSOLUTE TEMPERATURE, K
= VISCOSITY OF SOLVENT B, cP
= MOLAL VOLUME OF SOLUTE A AT ITS NORMAL BOILING
TEMPERATURE, cm^3/g-mol.
= ASSOCIATION FACTOR OF SOLVENT B, DIMENSIONLESS
DIFFUSION COEFFICIENT FOR GAS PHASE
THE PROGRAM USES THE FULLER, SCHETTLER AND GIDDLINGS METHOD
DABG = DIFFUSION COEFFICIENT OF GAS PHASE cm^2/s.
TKG = TEMPERATURE, KELVIN
MWA = MOLECULAR WEIGHT OF A.
MWB = MOLECULAR WEIGHT OF B
VAG = ATOMIC DIFFUSION VOLUME OF A
VBG = ATOMIC DIFFUSION VOLUME OF B
PRES = PRESSURE, ATMOSPHERE
*************************************************************
DIMENSION VA (1:50), DABL(I:50), Y(I:50)
REAL MBL, MWA, MWB
OPEN FILE TO PRINT THE RESULTS.
OPEN (UNIT = i, FILE = 'PRN')
DATA FOR LIQUID PHASE DIFFUSION COEFFICIENT
DATA VA(1)/10.0/, VA(2)/20.0/, VA(3)/40.0/, VA(4)/60.0/
DATA VA(5)/74.5/, VA(6)/80.0/, VA(7)/100.0/, VA(8)/200.0/
DATA VA(9)/400.0/, VA(10)/600.0/, VA(II)/1000.0/, VA(12)/2000.0/
DATA TKL/273.15/, MBL/II2.56/, VISBL/I.05/, FACTOR/I.0/
DATA FOR GAS PHASE DIFFUSION COEFFICIENT
DATA TKG/298.15/, MWA/29.0/, MWB/76.53/, VAG/20. i/, VBG/78.9/
DATA PRES/I. 0/
WRITE (i, I00)
145
i00
ii
ii0
140
150
160
22
I0
170
FORMAT(//, 15X,'DIFFUSION COEFFICIENTS FOR LIQUIDS AND GASES',
/1H , 78(1H*))
J = 1
GO TO (ii, 22), J
CALL THE PROGRAM TO CALCULATE THE DIFFUSION COEFFICIENT OF
LIQUID PHASE
WRITE (i, ii0)
FORMAT (//, IH , 15X,'DIFFUSION COEFFICIENT OF LIQUID PHASE'
/IH , 78(IH-) )
CALL PROGI (DABL, TKL, MBL, VISBL, VA, FACTOR, Y)
WRITE (i, 140)
FORMAT (/, 20X, 'MOLAL VOLUME OF ', 10X, 'DIFFUSION COEFFICIENT'
/, 10X, "NUMBER',4X,'SOLUTE A cm^3/g-mol',10X,'cm^2/s.t,
/, 78(IH-))
DO I = i, 12
WRITE (i, 150) I, VA(I), DABL(I)
FORMAT (10X, I2, 10X, FI0.2, 15X, E12.4)
END DO
WRITE (i, 160)
FORMAT (78(IH-))
J = J + 1
IF (J .EQ. 2) THEN
GO TO 5
ELSE
GO TO 9OO
ENDIF
CALL THE PROGRAM TO CALCULATE THE DIFFUSION COEFFICIENT
OF A GAS PHASE
WRITE (i, I0)
FORMAT(//,IH ,15X,'DIFFUSION COEFFICIENT OF GAS PHASE',
/1H
, 78(1H-))
CALL PROG2 (DABG, TKG, MWA, MWB, VAG, VBG, PRES)
WRITE (i, 170) DABG
FORMAT (//, 15X, 'DIFFUSION COEFFICIENT:', E12.6, 3X, "cm^2/s. " )
J = J + 1
IF (J .EQ. 2) THEN
GO TO 900
146