Page 219 - Modeling of Chemical Kinetics and Reactor Design
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Reaction Rate Expression  189

                                Linearizing the rate expression gives

                                   (
                                 ln Rate) =  ln k +  n  ln P  +  m  ln P                (3-275)
                                                       2
                                                      BH 6        Me CO
                                                                    2
                                Equation 3-275 is of the form
                                  =
                                 YC +    C X +  C X                                     (3-276)
                                      O   1  1   2  2
                              where the coefficients C  = k, C  = n, and C  = m.  The computer
                                                     O        1           2
                              program PROG3 determines the coefficients from the multiple regres-
                              sion of the independent variables  P   and  P   and the dependent
                                                                          2
                                                               2
                                                              BH 6      Me CO
                              variables Rate.  The results of the program give the coefficients for
                              Equation 3-276 as:
                                • C  = 4.67755
                                   O
                                • C  = 0.978166
                                   1
                                • C  = 0.954575
                                   2
                                • Correlation Coefficient = 0.9930
                              Therefore, C  = k = 4.68, C  = n = 0.98, and C  = m = 0.95.  The
                                          O              1                   2
                                                                                .
                                                                           .
                              rate equation is expressed as  Rate= 468.  P 098  P 0 95  , or as a
                                                                                 2
                                                                           2
                                                                          B H 6  Me CO
                              good approximation,
                                        .
                                 Rate = 47 P   P                                        (3-277)
                                                  2
                                            2
                                           B H 6  Me CO
                                The rate constant k can be determined with values of the exponents,
                              m = n ≅ 1 as follows:
                                 Rate=  k P 10  P 10
                                                 .
                                           .
                                                  2
                                           2
                                          B H 6  Me CO
                                 k =     Rate
                                     P     P
                                      B H 6  Me CO
                                       2
                                              2
                                The average rate constant k = 3.85 and the final rate equation is
                                      .
                              Rate = 385  P   P      . The computed rate constant from PROG3 is
                                          B H 6  Me CO
                                                  2
                                           2
                              4.68 and the calculated value from Table 3-12 is 3.85. The percentage
                              deviation between these values is 17.8%. Figure 3-22 shows plots of
                              partial pressures of B H  and Me CO versus the initial rate.
                                                     6
                                                  2
                                                             2
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