Page 113 - Modeling of Chemical Kinetics and Reactor Design
P. 113

Thermodynamics of Chemical Reactions   83
                                                               (
                                 ∆H (     K)=−  22 040 −  15 455 428 298)
                                                                   −
                                    rxn  428      ,        .
                                                      ×
                                                  .
                                                                       2
                                                                2
                                                           + 17 124 10 − 3 ( 428 − 298 )
                                                     2
                                                     ×
                                                 .
                                                                     3
                                                               3
                                                          −  4 887 10 − 6 ( 428 − 298 )
                                                    3
                                 ∆H (  428 K)=− 22 040 −  2 009 15 808 08 84 61
                                                                 +
                                                                         −
                                                  ,
                                                              .
                                                          ,
                                                                      .
                                                                             .
                                    rxn
                                                      .
                                                           −  23 325 68  kcal
                                                  ,
                                                         kmolN
                                                                2
                              1 kcal = 4.184 kJ
                                                kJ
                                          .
                                      ,
                                 =− 97 594 65
                                             kmol N
                                                    2
                                 ∆H (  428 K)=  1  kgmolN   − ,  .     kJ    
                                                         2
                                                            97 594 65
                                    rxn
                                               3  kgmolH             kmolN 
                                                        2                   2
                                                                 kJ
                                                      ,
                                                 =−32 531 55           at  428K
                                                          .
                                                             kg mol H 2
                                When the reaction proceeds at a constant temperature  T, and the
                              reactants and products remain at the standard state (represented by
                              the superscript o), we can use Equation 2-44 to calculate the true
                              equilibrium constant:
                                ∆G = –RT ln K                                            (2-44)

                                         o
                                    = ∆H  – T∆S  o
                                          r
                              where


                                              T
                                          rs ∫
                                 ∆H = ∆H +     ∆C dT
                                    o
                                                  o
                                          o
                                    r
                                                  p
                                              Ts
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