solve_point Subroutine

private subroutine solve_point(model, z0, zi, np, T, beta_w, x_kinds, w_kind, X, ns, S, dXdS, F, df, iters, max_iterations)

Uses

  • proc~~solve_point~~UsesGraph proc~solve_point PXEnvelMP%solve_point iso_fortran_env iso_fortran_env proc~solve_point->iso_fortran_env module~yaeos__math yaeos__math proc~solve_point->module~yaeos__math module~yaeos__constants yaeos__constants module~yaeos__math->module~yaeos__constants module~yaeos__math_continuation yaeos__math_continuation module~yaeos__math->module~yaeos__math_continuation module~yaeos__math_linalg yaeos__math_linalg module~yaeos__math->module~yaeos__math_linalg module~yaeos__constants->iso_fortran_env module~yaeos__math_continuation->module~yaeos__constants module~yaeos__math_continuation->module~yaeos__math_linalg module~yaeos__math_linalg->module~yaeos__constants

solve_point

Solve the system of equations for a multiphase point.

Description

Solves the point of a multiphase system using the Newton-Raphson method. The system of equations is defined in px_F_NP

Type Bound

PXEnvelMP

Arguments

Type IntentOptional Attributes Name
class(ArModel), intent(in) :: model

Model to use.
real(kind=pr), intent(in) :: z0(:)

First mixture composition.
real(kind=pr), intent(in) :: zi(:)

Second mixture composition.
integer, intent(in) :: np

Number of main phases
real(kind=pr), intent(in) :: T

Temperature [K]
real(kind=pr), intent(in) :: beta_w

Fraction of the reference (incipient) phase
character(len=14), intent(in) :: x_kinds(np)
character(len=14), intent(in) :: w_kind
real(kind=pr), intent(inout) :: X(:)

Vector of variables
integer, intent(in) :: ns

Number of specification
real(kind=pr), intent(in) :: S

Specification value
real(kind=pr), intent(in) :: dXdS(size(X))

Sensitivity of the variables wrt the specification
real(kind=pr), intent(out) :: F(size(X))

Vector of functions valuated
real(kind=pr), intent(out) :: df(size(X),size(X))

Jacobian matrix
integer, intent(out) :: iters

Number of iterations needed to converge the point
integer, intent(in) :: max_iterations

Maximum number of iterations to solve the point

Calls

proc~~solve_point~~CallsGraph proc~solve_point PXEnvelMP%solve_point proc~px_f_np px_F_NP proc~solve_point->proc~px_f_np proc~solve_system solve_system proc~solve_point->proc~solve_system proc~get_z get_z proc~px_f_np->proc~get_z proc~lnphi_pt ArModel%lnphi_pt proc~px_f_np->proc~lnphi_pt none~dgesv dgesv proc~solve_system->none~dgesv proc~lnphi_vt ArModel%lnphi_vt proc~lnphi_pt->proc~lnphi_vt proc~volume~3 ArModel%volume proc~lnphi_pt->proc~volume~3 residual_helmholtz residual_helmholtz proc~lnphi_vt->residual_helmholtz get_v0 get_v0 proc~volume~3->get_v0 interface~newton newton proc~volume~3->interface~newton proc~newton_1d newton_1d interface~newton->proc~newton_1d

Called by

proc~~solve_point~~CalledByGraph proc~solve_point PXEnvelMP%solve_point proc~px_envelope px_envelope proc~px_envelope->proc~solve_point

Variables

Type Visibility Attributes Name Initial
real(kind=pr), private :: X0(size(X))
real(kind=pr), private :: dX(size(X))
integer, private :: iP
integer, private :: ia
integer, private :: nc