kinetics_data.tex

We consider a simple mixture of five species:
\ce{N2}, \ce{O2}, \ce{N}, \ce{O}, \ce{NO}.

The characteristics of these molecules are given
in Tab.~\ref{data:systeme}. These characteristics are
mandatory, \Antioch\ requires you to provide a file
(necessarily in the \ascii\ format). If you do not
have such description, \Antioch\ will fall back on
her default files, but if some molecule does not belong
in \Antioch's default mixture, she will complain and
quit.

\noindent
\begin{table}
\centering
\begin{tabular}{lcccc}\toprule
molecule & mass (\unit{g\,mol^{-1}}) & \Denth[f] (\unit{J\,kg^{-1}})     & trans/rot degrees of freedom & charge \\\midrule
\ce{N2}  & \numprint{28.01600}       & \numprint{0.000000000000}         &  2.5                         &   0  \\
\ce{O2}  & \numprint{32.00000}       & \numprint{0.000000000000}         &  2.5                         &   0  \\
\ce{N}   & \numprint{14.00800}       & $\numprint{3.3621610000}\,10^{7}$ &  1.5                         &   0  \\
\ce{O}   & \numprint{16.00000}       & $\numprint{1.5420000000}\,10^{7}$ &  1.5                         &   0  \\
\ce{NO}  & \numprint{30.00800}       & $\numprint{2.9961230000}\,10^{6}$ &  2.5                         &   0  \\
\bottomrule
\end{tabular}
\caption{\label{data:systeme}Species core characteristics for the toy system.}
\end{table}

Secondary we want a chemical system, we consider the five reactions given in
Tab.~\ref{data:chemistry}.

\begin{table}
\centering
\begin{tabular}{c@{\hspace{2cm}}c}
\reactionParameter
[\TBcoeff{N2}{1.0}, 
\TBcoeff{O2}{1.0},
\TBcoeff{NO}{1.0},  
\TBcoeff{N}{\numprint{4.2857}},
\TBcoeff{O}{\numprint{4.2857}}]
{\reactionEq{N2 + M <=> 2 N + M}} 
{\KooijPar{7\,10^{18}}{m^3\,kmol^{-1}\,s^{-1}}{-1.6}{\numprint{224801.3}}{cal\,mol^{-1}}}
%
&
%
\reactionParameter
[\TBcoeff{N2}{1.0},
\TBcoeff{O2}{1.0},
\TBcoeff{NO}{1.0},
\TBcoeff{N}{5.0},
\TBcoeff{O}{5.0}]
{\reactionEq{O2 + M <=> 2 O + M}}
{\KooijPar{2\,10^{18}}{m^3\,kmol^{-1}\,s^{-1}}{-1.5}{\numprint{117881.7}}{cal\,mol^{-1}}}
%
\\[15pt]
%
\reactionParameter
[\TBcoeff{N2}{1.0},  
\TBcoeff{O2}{1.0},  
\TBcoeff{NO}{22.0},  
\TBcoeff{N}{22.0},  
\TBcoeff{O}{22.0}]
{\reactionEq{NO + M <=> N + O + M}}
{\ArrjPar{5\,10^{12}}{m^3\,kmol^{-1}\,s^{-1}}{\numprint{149943.0}}{cal\,mol^{-1}}}
%
&
%
\reactionParameter
{\reactionEq{N2 + O <=> NO + N}} 
{\KooijPar{5.7\,10^{9}}{m^3\,kmol^{-1}\,s^{-1}}{0.42}{\numprint{85269.6}}{cal\,mol^{-1}}}
%
\\[15pt]
%     
\reactionParameter
{\reactionEq{NO + O <=> O2 + N}}
{\ArrjPar{8.4\,10^{9}}{m^3\,kmol^{-1}\,s^{-1}}{\numprint{38526.0}}{cal\,mol^{-1}}}
\end{tabular}
\caption{\label{data:chemistry}Five reactions for a toy problem.}
\end{table}