critical_point Function

public function critical_point(model, z0, zi, spec, S, max_iters, V0, T0, a0, P0)

Uses

  • proc~~critical_point~~UsesGraph proc~critical_point critical_point module~yaeos__math yaeos__math proc~critical_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 iso_fortran_env iso_fortran_env 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

critical_point

Description

Calculates a single critical point of a mixture using a Newton-Raphson method. It is possible to specify different variables to be fixed with the spec argument, the spec_CP variable helps when selecting the specified variable.

Examples

Default behaviour

  cp = critical_point(&
       model, z0, zi, S=0.5_pr, spec=spec_CP%a, max_iters=1000)

Specifiying another variable

The natural variables are a, lnV, lnT and lnP. So it is important to specify the variable in logaritmic scale if that is the case.

  cp = critical_point(model, z0, zi, S=log(200._pr), spec=spec_CP%P, max_iters=1000)

Arguments

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

Equation of state model
real(kind=pr), intent(in) :: z0(:)

Molar fractions of the first fluid
real(kind=pr), intent(in) :: zi(:)

Molar fractions of the second fluid
integer, intent(in) :: spec

Specification [1:"z", 2:"V", 3:"T", 4:"P"]
real(kind=pr), intent(in) :: S

Specification value
integer, intent(in) :: max_iters

Maxiumum number of iterations
real(kind=pr), intent(in), optional :: V0

Initial volume [L/mol].
real(kind=pr), intent(in), optional :: T0

Initial temperature [K].
real(kind=pr), intent(in), optional :: a0

Initial value
real(kind=pr), intent(in), optional :: P0

Initial Pressure [bar]

Return Value type(EquilibriumState)


Calls

proc~~critical_point~~CallsGraph proc~critical_point critical_point proc~df_critical df_critical proc~critical_point->proc~df_critical proc~f_critical F_critical proc~critical_point->proc~f_critical proc~get_a get_a proc~critical_point->proc~get_a proc~lambda1 lambda1 proc~critical_point->proc~lambda1 proc~pressure ArModel%pressure proc~critical_point->proc~pressure proc~set_a set_a proc~critical_point->proc~set_a proc~solve_system solve_system proc~critical_point->proc~solve_system proc~volume~3 ArModel%volume proc~critical_point->proc~volume~3 proc~df_critical->proc~f_critical proc~df_critical->proc~get_a proc~f_critical->proc~get_a proc~f_critical->proc~lambda1 proc~lambda1->proc~get_a proc~eigen eigen proc~lambda1->proc~eigen proc~lnfug_vt ArModel%lnfug_vt proc~lambda1->proc~lnfug_vt residual_helmholtz residual_helmholtz proc~pressure->residual_helmholtz none~dgesv dgesv proc~solve_system->none~dgesv 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 none~dsyev dsyev proc~eigen->none~dsyev proc~lnfug_vt->residual_helmholtz

Called by

proc~~critical_point~~CalledByGraph proc~critical_point critical_point proc~get_critical_constants get_critical_constants proc~get_critical_constants->proc~critical_point proc~init_pcsaft init_pcsaft proc~init_pcsaft->proc~get_critical_constants

Variables

Type Visibility Attributes Name Initial
real(kind=pr), private :: F(4)
real(kind=pr), private :: Sin
real(kind=pr), private :: X(4)
real(kind=pr), private :: a
real(kind=pr), private :: dX(4)
real(kind=pr), private :: df(4,4)
integer, private :: i
real(kind=pr), private :: l
integer, private :: nc
integer, private :: ns
real(kind=pr), private :: u(size(z0))
real(kind=pr), private :: u_new(size(z0))
real(kind=pr), private :: z(size(z0))