Примеры из базы данных
"ИВТАНТЕРМО"
1.Table of thermodynamic properties in the format
reference book.
TABLE 258
PRECISION CLASS 5-C P= 1 bar
METHANE CH4(g)
CH4(g)=C(g)+4H(g) DrH(0)= 1641.964 kJ/mol
DELTA f H(0) = -66.630 kJ/mol
DELTA f H(298.15) = -74.600 kJ/mol
S nucl = 23.675 J/K.mol
T Cp F S H LOG10(K)
K J/K.mol J/K.mol J/K.mol kJ/mol
298.15 35.695 152.774 186.369 10.016 -268.9030
300 35.765 152.982 186.590 10.082 -267.1060
400 40.631 162.784 197.501 13.887 -194.5695
500 46.627 170.711 207.202 18.246 -150.8801
.....................................................................
2000 101.235 240.250 309.489 138.477 -18.3098
.....................................................................
3000 113.551 270.949 353.093 246.431 -3.4131
.....................................................................
5800 135.724 331.881 434.722 596.479 10.8049
5900 136.485 333.644 437.049 610.089 11.0571
6000 137.248 335.386 439.349 623.776 11.3005
2. Table of thermodynamic properties in the format
of JANAF reference book
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PLUTONIUM DIOXIDE PuO2(cr,l)
------------------------------------------------------------------------------
ENTHALPY REFERENCE TEMPERATURE,Tr = 298.15 K
STANDARD PRESSURE = P = 1 bar
________J/K.mol___________ _________kJ/mol__________
T/K Cp S -(G-H(Tr))/T H-H(Tr) DELfH DELfG LogKf
298.15 66.250 66.130 66.130 .000 -1055.800 -998.106 174.862
300 66.524 66.541 66.131 .123 -1055.789 -997.748 173.721
400 76.574 87.238 68.885 7.341 -1058.384 -978.478 127.774
500 81.853 104.943 74.372 15.285 -1057.560 -958.639 100.147
..............................................................................
2500 112.237 258.900 173.279 214.052 -1018.698 -589.404 12.315
2600 113.427 263.325 176.658 225.335 -1015.568 -572.293 11.497
2663 114.176 266.050 178.740 232.505 -1013.547 -561.577 11.015
PHASE TRANSITION DEL trs H = 67.000 kJ/mol DEL trs S = 25.160 J/K.mol
2663 131.000 291.209 178.740 299.505 -946.547 -561.577 11.015
2700 131.000 293.017 180.294 304.352 -944.727 -556.240 10.761
..............................................................................
3900 131.000 341.189 222.842 461.552 -1243.465 -361.192 4.838
4000 131.000 344.505 225.842 474.652 -1240.715 -338.604 4.422
4003.04 131.000 344.605 225.932 475.050 -1240.632 -337.920 4.409
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3. Thermodynamics of chemical reaction
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***** REACTION ***** ( P = 1 bar )
SiCl4(g)+2H2(g)=Si(cr,l)+4HCl(g)
T DELTA CP DELTA S DELTA H DELTA G LOG10(K)
K J/K.mol J/K.mol kJ/mol kJ/mol
298.15 -11.742 173.612 292.960 241.198 -42.2563
300 -11.859 173.539 292.938 240.877 -41.9398
400 -16.254 169.443 291.504 223.727 -29.2153
500 -18.142 165.578 289.768 206.979 -21.6227
............................................................................
1600 -5.969 149.319 275.881 36.969 -1.2069
1690 -5.238 149.013 275.377 23.545 -.7277
TRANSITION 1 -> 2 DELTA H = 50.210 kJ/mol Si(cr,l)
1690 -7.170 178.723 325.587 23.545 -.7277
1700 -7.127 178.681 325.515 21.758 -.6685
............................................................................
5400 -4.260 172.919 308.045 -625.720 6.0526
5500 -4.331 172.841 307.616 -643.008 6.1067
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4. Result of chemical equilibrium calculation
****************************************************************************
********* CHEMICAL EQUILIBRIUM COMPUTATION ***************
Pressure P = 100 bar Temperature T = 1800 K
38 species 3 elements
38 gaseous species (G) 0 single species phases
0 species in solution (M)
40 iterations
Species Moles Mole fraction
G CO(g) 9.9958407E-01 4.1699441E-01
G CH4(g) 4.9118940E-01 2.0490846E-01
G H2(g) 6.5417340E-01 2.7290015E-01
G C2H2(g) 1.4945955E-01 6.2349730E-02
G C2H4(g) 9.1692631E-02 3.8251224E-02
G C3H6(g;1) 6.1358747E-03 2.5596901E-03
G C2H6(g) 3.2809454E-03 1.3687052E-03
G CH3(g) 6.9195880E-04 2.8866301E-04
G C2H3(g) 3.6874657E-04 1.5382924E-04
G H2O(g) 2.2433040E-04 9.3583447E-05
G CO2(g) 8.9283301E-05 3.7246129E-05
G C2H5(g) 8.4042799E-05 3.5059959E-05
G C3H8(g) 5.3716560E-05 2.2408825E-05
A H(g) 4.4893579E-05 1.8728161E-05
G C3H6(g) 1.7726288E-05 7.3948388E-06
G C3H4(g) 1.1959419E-05 4.9890861E-06
G H2CO(g) 1.1607051E-05 4.8420894E-06
G HCO(g) 1.1124439E-06 4.6407590E-07
G C3H(g) 7.6945894E-07 3.2099358E-07
G C3O2(g) 1.4764198E-07 6.1591499E-08
G CH2(g) 5.2687653E-08 2.1979599E-08
G C2H(g) 4.0269737E-08 1.6799242E-08
G C2O(g) 4.6922616E-09 1.9574610E-09
G HCOOH(g) 3.8613518E-09 1.6108321E-09
G OH(g) 1.0078791E-09 4.2045484E-10
G C3(g) 1.1701232E-10 4.8813787E-11
G COOH(g) 6.2719124E-11 2.6164406E-11
G CH(g) 1.3634084E-11 5.6877025E-12
G C5(g) 6.2834150E-12 2.6212391E-12
G C2(g) 2.7134354E-13 1.1319582E-13
A C(g) 2.1142511E-13 8.8199773E-14
G C4(g) 5.4018752E-14 2.2534890E-14
A O(g) 5.3410392E-14 2.2281102E-14
G O2(g) 8.0534843E-18 3.3596553E-18
G H2O2(g) 3.7095286E-18 1.5474963E-18
G HO2(g) 8.2573359E-20 3.4446956E-20
G CH2O2(g) 1.2342066E-21 5.1487140E-22
Less than 1.E-32 moles:
G O3(g)
2.397116 moles in gaseous phase
Elemental abundances:
O 1
H 4
C 2
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