%(x): for note      Energy input: [  Ea(BEP)    |  H0(scalling)]           %#ok
 (1): H2 + 2#   <-> 2H#           [ 0.54  0.60     0.30  -0.68 ]           %#ok
 (2): N2 + 2#   <-> 2N#           [ 0.78  1.54     2.00   0.00 ]           %#ok
 (3): N# + H#   <-> NH# + #       [ 0.26  1.45    -0.15  -0.18 ]           %#ok
 (4): NH# + H#  <-> NH2# + #      [ 0.43  1.66    -0.45  -0.45 ]           %#ok
 (5): NH2# + H# <-> NH3 + 2#      [ 0.31  1.45    -0.85   1.17 ]           %#ok
E1 = -0.65;        % specific energies for descriptor E1 (E_N)             %#ok
CalcDRC = 1;       % calculate the degree of rate control
T = [300:50:1000]; % sampling reaction temperature 
P = 10.^[-1:0.2:3];% sampling reaction pressure
P_H2_INIT = 75;    % initial H2 pressure
P_N2_INIT = 25;    % initial N2 pressure
P_NH3_INIT = 0;    % initial NH3 pressure
Q_v_INIT = 1;      % initial coverage of free site
Pn = 1E-3;         % normalized total pressure
Fgt = 0.02;        % normalized rate of gas volume flow
ThermoMode = 4;    % only include entropy correction                       
BarrierMode = 1;   % deal the adsorption with collision theory            
BEPMode = 1;       % the energy input of barrier is by BEP relation 
Mr_NH3 = -2;       % the barrier of the NH3 desorption is used by given                                                                                                                      
npar = 8;          % the process number for parallel computing                                              
PlotMode = inf;    % plot the results of each sampling 

