function lag_rate_rate_O_O2 % Evaluation of the rate coefficient for the O-O2 dissociation reaction % with two Laguerre quadratures format long e temp=6000; kt=0.8617e-04*temp; yzero=14.5/kt; for n=2:2:50 % Laguerre quadratures for alpha =1 [pt,wt] = lagptwt2(n,1); [sig]=sigma_O_O2((pt+yzero)*kt); rate1=sum(wt.*sig); % Laguerre quadratures for alpha = 0 [pt,wt] = lagptwt2(n,0); [sig]=sigma_O_O2((pt+yzero)*kt); rate2=sum(wt.*sig); rate=1e12*(exp(-yzero)*rate1+yzero*exp(-yzero)*rate2); fprintf('%i %16.6f %16.6f %12.6f\n',n,rate1,rate2,rate) end % Reactive cross seciton function [sig]=sigma_O_O2(e) n=length(e); for i=1:n sig(i)=4.51*(e(i)-14.5)^1.03/(0.21+e(i)^1.31); end % Laguerre quadratures function [pt,wt] = lagptwt2(n,alf) format long e xn=[0:1:n-1]; a=2*xn+alf+1; b=(xn.*(xn+alf)); rtb=sqrt(b); rtb(1)=[]; t=diag(rtb,-1)+diag(a)+diag(rtb,1); [f,lambda]=eig(t); pt=diag(lambda); wt=gamma(alf+1)*f(1,:).^2; ptwt=[pt,wt'];