fullerEtAlDiffusion.py

from modena import CFunction, IndexSet, ForwardMappingModel
import modena.Strategy as Strategy

species = IndexSet(
    name= 'species',
    names= [ 'H2O', 'N2', 'SO2' ]
)


f = CFunction(
    inputs={
        'T': { 'min': 0, 'max': 9e99 },
        'p': { 'min': 0, 'max': 9e99 },
    },
    outputs={
        'D[A]': { 'min': 0, 'max': 9e99, 'argPos': 0 },
    },
    parameters={
        'W[A]': { 'min': 0, 'max': 9e99, 'argPos': 0 },
        'V[A]': { 'min': 0, 'max': 9e99, 'argPos': 1 },
        'W[B]': { 'min': 0, 'max': 9e99, 'argPos': 2 },
        'V[B]': { 'min': 0, 'max': 9e99, 'argPos': 3 },
    },
    indices={
        'A': species,
        'B': species,
    },
    Ccode= '''
#include "modena.h"
#include "math.h"

void fullerEtAlDiffusion
(
    const modena_model_t* model,
    const double* inputs,
    double *outputs
)
{
    {% block variables %}{% endblock %}

    const double WA = parameters[0];
    const double VA = parameters[1];
    const double WB = parameters[2];
    const double VB = parameters[3];

    outputs[0] = 1.011e-4*pow(T, 1.75)*pow(1.0/WA + 1.0/WB, 1.0/2.0);
    outputs[0] /= p*(pow(pow(VA, 1.0/3.0) + pow(VB, 1.0/3.0), 2.0));
}
''',
)

m = ForwardMappingModel(
    _id= 'fullerEtAlDiffusion[A=H2O,B=N2]',
    surrogateFunction= f,
    substituteModels= [ ],
    parameters= [ 16, 9.44, 14, 11.38 ],
)