TXEnvelMP Derived Type

type, public :: TXEnvelMP

Multiphase T envelope.


Components

Type Visibility Attributes Name Initial
real(kind=pr), public, allocatable :: Tc(:)

Critical temperatures [K]
real(kind=pr), public, allocatable :: ac(:)

Critical alphas.
real(kind=pr), public, allocatable :: alpha(:)

Array of values for each point in the envelope.
character(len=14), public, allocatable :: kind_w(:)

Kind of the reference phase
character(len=14), public, allocatable :: kinds_x(:)

Kinds of the main phases
type(MPPoint), public, allocatable :: points(:)

Array of converged points.
real(kind=pr), public, allocatable :: z0(:)

Initial mixture composition.
real(kind=pr), public, allocatable :: zi(:)

Second mixture composition.

Type-Bound Procedures

procedure, public, nopass :: get_values_from_X

  • private subroutine get_values_from_X(X, np, z0, zi, beta_w, x_l, w, betas, T, alpha)

    Extract the values of the variables from the vector X.

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    Arguments

    Type IntentOptional Attributes Name
    real(kind=pr), intent(in) :: X(:)

    Vector of variables.
    integer, intent(in) :: np

    Number of main phases.
    real(kind=pr), intent(in) :: z0(:)

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

    Second mixture composition.
    real(kind=pr), intent(in) :: beta_w

    Reference phase beta.
    real(kind=pr), intent(out) :: x_l(np,size(z0))

    Mole fractions of the main phases.
    real(kind=pr), intent(out) :: w(size(z0))

    Mole fractions of the incipient phase.
    real(kind=pr), intent(out) :: betas(np)

    Fractions of the main phases.
    real(kind=pr), intent(out) :: T

    Pressure [bar].
    real(kind=pr), intent(out) :: alpha

    .

procedure, public, nopass :: solve_point

  • private subroutine solve_point(model, z0, zi, np, P, beta_w, kinds_x, kind_w, X, ns, S, dXdS, F, df, iters, max_iterations)

    Solve a point in the multiphase envelope.

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    Arguments

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

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

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

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

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

    Presure [bar].
    real(kind=pr), intent(in) :: beta_w

    Fraction of the reference (incipient) phase
    character(len=14), intent(in) :: kinds_x(np)

    Kinds of the main phases
    character(len=14), intent(in) :: kind_w

    Kind of the reference phase
    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))
    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.

procedure, public :: write => write_envelope_TX_MP

  • private subroutine write_envelope_TX_MP(env, unit)

    Write the multiphase envelope to a file.

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    Arguments

    Type IntentOptional Attributes Name
    class(TXEnvelMP), intent(in) :: env

    Envelope to write.
    integer, intent(in) :: unit

    Unit to write the envelope to.