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first version of the assembleNewton_ for flash calculation

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This commit is contained in:
Kai Bao 2022-03-22 11:04:07 +01:00 committed by Trine Mykkeltvedt
parent e09cf63063
commit 55145f8eaf
2 changed files with 54 additions and 38 deletions
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90
opm/material/constraintsolvers/ChiFlash.hpp
View File

@ -111,7 +111,7 @@ public:
}
InputEval L;
// TODO: L has all the derivatives to be all ZEROs here.
L = fluid_state.L(0);
L = fluid_state.L();
// Print header
if (verbosity >= 1) {
@ -829,42 +829,7 @@ protected:
unsigned iter = 0;
constexpr unsigned max_iter = 1000;
while (iter < max_iter) {
// assembling the Jacobian and residuals
// assemble_(flash_fluid_state, )
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
{
// z - L*x - (1-L) * y
auto local_res = -globalComposition[compIdx] + l * x[compIdx] + (1 - l) * y[compIdx];
res[compIdx] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_primary_variables; ++i) {
jac[compIdx][i] = local_res.derivative(i);
}
}
{
// (f_liquid/f_vapor) - 1 = 0
auto local_res = (flash_fluid_state.fugacity(oilPhaseIdx, compIdx) /
flash_fluid_state.fugacity(gasPhaseIdx, compIdx)) - 1.0;
res[compIdx + numComponents] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_equations; ++i) {
jac[compIdx + numComponents][i] = local_res.derivative(i);
}
}
}
// sum(x) - sum(y) = 0
Eval sumx = 0.;
Eval sumy = 0.;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
sumx += x[compIdx];
sumy += y[compIdx];
}
auto local_res = sumx - sumy;
res[num_equations - 1] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_equations; ++i) {
jac[num_equations - 1][i] = local_res.derivative(i);
}
assembleNewton_<CompositionalFluidState<Eval, FluidSystem>, ComponentVector, num_primary_variables, num_equations> (flash_fluid_state, globalComposition, jac, res);
std::cout << " newton residual is " << res.two_norm() << std::endl;
converged = res.two_norm() < tolerance;
if (converged) {
@ -937,6 +902,57 @@ protected:
return conv;
}
// TODO: the interface will need to refactor for later usage
template<typename FlashFluidState, typename ComponentVector, size_t num_primary, size_t num_equation >
static void assembleNewton_(const FlashFluidState& fluid_state,
const ComponentVector& global_composition,
Dune::FieldMatrix<double, num_equation, num_primary>& jac,
Dune::FieldVector<double, num_equation>& res)
{
using Eval = DenseAd::Evaluation<double, num_primary>;
std::vector<Eval> x(numComponents), y(numComponents);
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
x[compIdx] = fluid_state.moleFraction(oilPhaseIdx, compIdx);
y[compIdx] = fluid_state.moleFraction(gasPhaseIdx, compIdx);
}
const Eval& l = fluid_state.L();
// TODO: clearing zero whether necessary?
jac = 0.;
res = 0.;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
{
// z - L*x - (1-L) * y
auto local_res = -global_composition[compIdx] + l * x[compIdx] + (1 - l) * y[compIdx];
res[compIdx] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_primary; ++i) {
jac[compIdx][i] = local_res.derivative(i);
}
}
{
// (f_liquid/f_vapor) - 1 = 0
auto local_res = (fluid_state.fugacity(oilPhaseIdx, compIdx) /
fluid_state.fugacity(gasPhaseIdx, compIdx)) - 1.0;
res[compIdx + numComponents] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_equation; ++i) {
jac[compIdx + numComponents][i] = local_res.derivative(i);
}
}
}
// sum(x) - sum(y) = 0
Eval sumx = 0.;
Eval sumy = 0.;
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
sumx += x[compIdx];
sumy += y[compIdx];
}
auto local_res = sumx - sumy;
res[num_equation - 1] = Opm::getValue(local_res);
for (unsigned i = 0; i < num_equation; ++i) {
jac[num_equation - 1][i] = local_res.derivative(i);
}
}
/* template <class Vector, class Matrix, class Eval, class ComponentVector>
static void evalJacobian(const ComponentVector& globalComposition,
const Vector& x,

2
opm/material/fluidstates/FluidStateCompositionModules.hpp
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@ -185,7 +185,7 @@ public:
/*!
* \brief The L value of a composition [-]
*/
const Scalar& L(unsigned /*phaseIdx*/) const
const Scalar& L() const
{ return L_; }
/*!