Примеры из базы данных "ИВТАНТЕРМО"

                                          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

******************************************************************************
                    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
*******************************************************************************

*******************************************************************************
                 ***** 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
****************************************************************************

****************************************************************************
            ********* 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
**************************************************************************

Химический факультет МГУ