请教大家一个有关反应速率的udf急。
-
#include "udf.h"
DEFINE_EC_RATE(user_ec_rate, f, fthread, r, V, current, didV, Eeq)
{
double alpha_a = r->alpha_a, alpha_c = r->alpha_c;
double io = r->io
double T = F_T(f,fthread);
double arg1, arg2;
cxboolean tafelmethod = r->tafelmethod;
int i;
double eta;
if (tafelmethod)
{
alpha_a = 2.303 * UNIVERSAL_GAS_CONSTANT * 298.15 /(alpha_a * FARADAY_CONSTANT);
alpha_c = 2.303 * UNIVERSAL_GAS_CONSTANT * 298.15 /(alpha_c * FARADAY_CONSTANT);
}
Eeq = r->Eeq;
eta = V - Eeq;
for(i = 0; i<r->n_reactants; i++)
if( ABS( r->exp_reactant[i] ) > SMALL_S )
{
int ni = r->reactant[i];
io = pow((F_YI(f,fthread,ni)/MAX(r->yi_ref[ni],SMALL) + 1.0e-20), r->exp_reactant[i]);
}
for(i = 0; i<r->n_products; i++)
if( ABS( r->exp_product[i] ) > SMALL_S )
{
int ni = r->product[i];
io = pow((F_YI(f,fthread,ni)/MAX(r->yi_ref[ni],SMALL) + 1.0e-20), r->exp_product[i]);
}
arg1 = FARADAY_CONSTANT / (UNIVERSAL_GAS_CONSTANTT);
arg2 = arg1eta;
current = io( exp( arg2alpha_a ) - exp( -arg2alpha_c ) );
didV = io( arg1alpha_aexp( arg2alpha_a ) + arg1alpha_cexp( -arg2alpha_c ) );
/* If multiple electrochemical reactions are used, you can define rate for each reaction
using the following if-statement /
/
if (STREQ(r->name, "reaction-1"))
{
...
}
else if (STREQ(r->name, "reaction-2"))
{
...
}
*/
}