che.m

计算化合物热容

% O+CH4<=>OH+CH3                                         
 T=2240.468;
% T=2000.;
A=1.02E+09;
TN=1.5;
E=8600.0;
R=8.31/4.184;
T^TN;
K=27.1;
k=A*T^TN*exp(-E/R/T);
% 1.363624000000000E-008    1.922162000000000E-009  3.264819000000000E-008  
% 1.619714000000000E-005    3.354842000000000E-007  1.608945000000000E-005  
% 1.462639000000000E-009    1.059484000000000E-010  4.878396000000000E-024  
% 5.835279000000000E-025    5.525329000000000E-025  4.813208000000000E-026  
% 4.213390000000000E-024    1.582080000000000E-024  3.712030000000000E-008  
% 8.099192999999999E-006    2.891569000000000E-015  3.788459000000000E-017  
% 1.019258000000000E-022    1.643340000000000E-024  6.470437000000000E-024  
% 1.762946000000000E-032    3.060375000000000E-030  1.869272000000000E-035  
% 1.448182000000000E-035    1.273120000000000E-040  6.200086000000000E-042  
% 6.318287000000000E-027    4.316358000000000E-027  5.523586000000000E-030  
% 9.306943000000000E-058    4.683639000000000E-059  1.531500000000000E-032  
% 6.283737000000000E-035    1.223702000000000E-004
O=3.264819000000000E-008;
CH4=1.582080000000000E-024;
RATE=k*O*CH4;
RATE
OH=3.354842000000000E-007;
CH3=4.213390000000000E-024;
OH*CH3/O/CH4;
k/(8.096873035230700E-019/OH/CH3)
Rateinv=k/K*OH*CH3;
Rateinv