yaeos__consistency_armodel Module

yaeos__consistency_armodel

Consistency checks of Helmholtz free energy models (ArModel).

Description

This module contains tools to validate the analityc derivatives of implmented Helmholtz free energy models (ArModel). Also, allows to evaluate the consistency tests described in Thermodynamic Models: Fundamentals & Computational Aspects 2 ed. by Michelsen and Mollerup Chapter 2 section 3.

Available tools:

  • numeric_ar_derivatives: From an instantiated ArModel evaluate all the Helmholtz free energy derivatives from the central finite difference method.

  • ar_consistency: From an instantiated ArModel evaluate all the Michelsen and Mollerup consistency tests.

References

  1. Michelsen, M. L., & Mollerup, J. M. (2007). Thermodynamic models: Fundamentals & computational aspects (2. ed). Tie-Line Publications.

Uses

  • module~~yaeos__consistency_armodel~~UsesGraph module~yaeos__consistency_armodel yaeos__consistency_armodel module~yaeos__constants yaeos__constants module~yaeos__consistency_armodel->module~yaeos__constants module~yaeos__models_ar yaeos__models_ar module~yaeos__consistency_armodel->module~yaeos__models_ar iso_fortran_env iso_fortran_env module~yaeos__constants->iso_fortran_env module~yaeos__models_ar->module~yaeos__constants module~yaeos__models_base yaeos__models_base module~yaeos__models_ar->module~yaeos__models_base module~yaeos__substance yaeos__substance module~yaeos__models_base->module~yaeos__substance module~yaeos__substance->module~yaeos__constants

Used by

  • module~~yaeos__consistency_armodel~~UsedByGraph module~yaeos__consistency_armodel yaeos__consistency_armodel module~yaeos__consistency yaeos__consistency module~yaeos__consistency->module~yaeos__consistency_armodel module~yaeos yaeos module~yaeos->module~yaeos__consistency

Subroutines

public subroutine ar_consistency(eos, n, V, T, eq31, eq33, eq34, eq36, eq37)

models consistency tests.

Read more…

Arguments

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

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

Moles number vector
real(kind=pr), intent(in) :: V

Volume [L]
real(kind=pr), intent(in) :: T

Temperature [K]
real(kind=pr), intent(out), optional :: eq31

MM Eq. 31
real(kind=pr), intent(out), optional :: eq33(size(n),size(n))

MM Eq. 33
real(kind=pr), intent(out), optional :: eq34(size(n))

MM Eq. 34
real(kind=pr), intent(out), optional :: eq36

MM Eq. 36
real(kind=pr), intent(out), optional :: eq37

MM Eq. 37

public subroutine numeric_ar_derivatives(eos, n, V, T, d_n, d_v, d_t, Ar, ArV, ArT, Arn, ArV2, ArT2, ArTV, ArVn, ArTn, Arn2)

Evaluate the Helmholtz derivatives with central finite difference.

Read more…

Arguments

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

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

Moles number vector
real(kind=pr), intent(in) :: V

Volume [L]
real(kind=pr), intent(in) :: T

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

Moles finite difference step
real(kind=pr), intent(in) :: d_v

Volume finite difference step
real(kind=pr), intent(in) :: d_t

Temperature finite difference step
real(kind=pr), intent(out) :: Ar

Residual Helmoltz energy
real(kind=pr), intent(out), optional :: ArV

real(kind=pr), intent(out), optional :: ArT

real(kind=pr), intent(out), optional :: Arn(size(n))

real(kind=pr), intent(out), optional :: ArV2

real(kind=pr), intent(out), optional :: ArT2

real(kind=pr), intent(out), optional :: ArTV

real(kind=pr), intent(out), optional :: ArVn(size(n))

real(kind=pr), intent(out), optional :: ArTn(size(n))

real(kind=pr), intent(out), optional :: Arn2(size(n),size(n))