[Bluewhale]

Hi,

I'm trying to get a reversible reaction going based on species concentrations.

CH4 (+Cs-H*) <-> CH3* + H*(+Cs-H*)

Is it possible to run a reversible reaction with the code below?


DEFINE_VR_RATE(myrate,c,t,r,mw,yi,rr,rr_t)

{
#if !RP_HOST
if (!strcmp(r->name, "reaction-46") && C_DPMS_SURF_YI(c,t,1)>0 )
{


real area=0,dia=0;

dia = pow((C_DPMS_SURF_YI(c,t,1)*C_VOLUME(c,t)*6/(2230*M_PI)),0.3333);
area=M_PI*dia*dia;
real rforward,diap,rbackward,keq,molconch4,molconch3,mo lconh;
char cuser[30];
molconch4=C_YI(c,t,4)*C_R(c,t)/(16.04*0.001);
molconch3 = C_YI(c,t,3)/(15.035*0.001)*C_R(c,t);
molconh = C_YI(c,t,1)/(1.00797*0.001)*C_R(c,t);
rforward=1e-11*molconch4*area*1.17e-11*pow(C_T(c,t),0.5);
if(molconch3>0 && molconh>0 && molconch4 >0)
{
keq= (molconch4)/(molconch3*molconh);
rbackward= rforward/keq;
*rr= -1*(rforward-rbackward);
}
else if (molconch3>0 && molconh>0 && molconch4 ==0)
*rr=rbackward;
else if(molconch3==0 && molconh==0 && molconch4 >0)
*rr=-1*rforward;
else
*rr=0;
}