diff --git a/.gitignore b/.gitignore index 5ede0ddcf..17d22011f 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +1,5 @@ +fort.* +.stuff build .vscode tools/Makefile diff --git a/README.md b/README.md index 467026fed..1663f0d2e 100644 --- a/README.md +++ b/README.md @@ -90,7 +90,7 @@ call model%pressure(z, V, T, P) print *, P ! Obtain derivatives adding them as optional arguments! -call pressure(model, z, V, T, P, dPdN=dPdN) +call model%pressure(model, z, V, T, P, dPdN=dPdN) print *, dPdN ``` diff --git a/app/fit.f90 b/app/fit.f90 index d12a5309f..34096f7a4 100644 --- a/app/fit.f90 +++ b/app/fit.f90 @@ -1,6 +1,6 @@ program main !! Binary system parameter optimization - use yaeos, only: EquilibriaState, pr, ArModel, SoaveRedlichKwong, CubicEoS, saturation_pressure + use yaeos, only: EquilibriumState, pr, ArModel, SoaveRedlichKwong, CubicEoS, saturation_pressure use yaeos, only: MHV use forsus, only: Substance, forsus_dir use yaeos__fitting, only: FittingProblem, fobj, optimize @@ -8,8 +8,8 @@ program main integer, parameter :: nc = 2, np=7 integer :: i, infile, iostat - type(EquilibriaState), allocatable :: exp_points(:) - type(EquilibriaState) :: point + type(EquilibriumState), allocatable :: exp_points(:) + type(EquilibriumState) :: point type(FitMHVNRTL) :: prob type(Substance) :: sus(2) @@ -33,7 +33,7 @@ program main if (iostat /= 0) exit select case (kind) case ("bubble", "dew", "liquid-liquid") - point = EquilibriaState( & + point = EquilibriumState( & kind=kind, T=T, P=P, x=[x1, 1 - x1], y=[y1, 1 - y1], & Vx=0._pr, Vy=0._pr, iters=0, beta=0._pr & ) diff --git a/app/flash.f90 b/app/flash.f90 index 1f6a83502..c126c16cf 100644 --- a/app/flash.f90 +++ b/app/flash.f90 @@ -3,12 +3,12 @@ program flasher !! EoS model. ! Import the relevant - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel implicit none ! Variables definition: class(ArModel), allocatable :: model !! Model to use - type(EquilibriaState) :: flash_result !! Result of Flash calculation + type(EquilibriumState) :: flash_result !! Result of Flash calculation real(pr) :: tc(2), pc(2), w(2) real(pr) :: n(2), t, p, k0(2) diff --git a/app/phase_diagram.f90 b/app/phase_diagram.f90 index 3b59e559c..97e9a78f5 100644 --- a/app/phase_diagram.f90 +++ b/app/phase_diagram.f90 @@ -3,7 +3,7 @@ program phase_diagram use forsus, only: Substance, forsus_dir, forsus_default_dir use yaeos, only: pr, & SoaveRedlichKwong, PengRobinson76, PengRobinson78, RKPR, & - EquilibriaState, ArModel, PTEnvel2, & + EquilibriumState, ArModel, PTEnvel2, & pt_envelope_2ph, saturation_pressure, saturation_temperature use yaeos__phase_equilibria_auxiliar, only: k_wilson implicit none @@ -13,7 +13,7 @@ program phase_diagram ! --------------------------------------------------------------------------- integer, parameter :: nc=2 class(ArModel), allocatable :: model ! Thermodynamic model to be used - type(EquilibriaState) :: sat_point ! Init + type(EquilibriumState) :: sat_point ! Init type(PTEnvel2) :: envelope ! PT Phase envelope real(pr) :: tc(nc), pc(nc), w(nc) ! Component's critical constants real(pr) :: n(nc) ! Termodynamic variables diff --git a/app/saturation.f90 b/app/saturation.f90 index a186c0dec..ddc2d4271 100644 --- a/app/saturation.f90 +++ b/app/saturation.f90 @@ -7,7 +7,7 @@ program main real(pr), dimension(nc) :: tc, pc, w type(MHV) :: mixrule type(CubicEOS) :: eos - type(EquilibriaState) :: eq + type(EquilibriumState) :: eq real(pr) :: n(nc) integer :: i diff --git a/doc/page/usage/eos/cubics/alpha.md b/doc/page/usage/eos/cubics/alpha.md index b4cbf7cfd..224ae58ec 100644 --- a/doc/page/usage/eos/cubics/alpha.md +++ b/doc/page/usage/eos/cubics/alpha.md @@ -1,3 +1,3 @@ --- -title: alpha functions +title: Alpha functions --- \ No newline at end of file diff --git a/doc/page/usage/eos/index.md b/doc/page/usage/eos/index.md index c828b5b17..321e47a2f 100644 --- a/doc/page/usage/eos/index.md +++ b/doc/page/usage/eos/index.md @@ -3,4 +3,4 @@ title: Equations of State ordered_subpage: cubics --- -Explain ArModels thermoprops here \ No newline at end of file +`yaeos` is a library based on Equation-of-State calculations. \ No newline at end of file diff --git a/example/extra/flash.f90 b/example/extra/flash.f90 index cc1ddbe84..70c3ac0c6 100644 --- a/example/extra/flash.f90 +++ b/example/extra/flash.f90 @@ -1,12 +1,12 @@ module flashing - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel implicit none contains subroutine main() class(ArModel), allocatable :: model - type(EquilibriaState) :: flash_result + type(EquilibriumState) :: flash_result real(pr) :: tc(2), pc(2), w(2) diff --git a/example/extra/hard_spheres_mixing.f90 b/example/extra/hard_spheres_mixing.f90 index 14e7adf11..12be09442 100644 --- a/example/extra/hard_spheres_mixing.f90 +++ b/example/extra/hard_spheres_mixing.f90 @@ -114,7 +114,7 @@ subroutine main type(hPR76) :: hdpr76 type(HardSpheresCubicEoS) :: hspr76 - type(EquilibriaState) :: eq + type(EquilibriumState) :: eq type(PTEnvel2) :: env real(pr) :: Ar, ArT, ArV, ArTV, ArT2, ArV2, Arn(nc), Artn(nc), ArVn(nc), arn2(nc,nc) diff --git a/example/tutorials/huron_vidal.f90 b/example/tutorials/huron_vidal.f90 index a3acc00b1..497c7e4b9 100644 --- a/example/tutorials/huron_vidal.f90 +++ b/example/tutorials/huron_vidal.f90 @@ -4,7 +4,7 @@ program main use forsus, only: Substance, forsus_dir use yaeos, only: & pr, SoaveRedlichKwong, CubicEoS, NRTL, saturation_pressure, & - pt_envelope_2ph, EquilibriaState, PTEnvel2, UNIFAC, setup_unifac, Groups + pt_envelope_2ph, EquilibriumState, PTEnvel2, UNIFAC, setup_unifac, Groups use yaeos__models_cubic_mixing_rules_huron_vidal, only: MHV implicit none @@ -21,7 +21,7 @@ program main type(MHV) :: mixrule type(Groups) :: molecules(nc) - type(EquilibriaState) :: sat + type(EquilibriumState) :: sat type(Substance) :: sus(nc) @@ -75,9 +75,9 @@ program main contains subroutine phase_envel(fu) - use yaeos, only: EquilibriaState, PTEnvel2, pt_envelope_2ph, saturation_temperature + use yaeos, only: EquilibriumState, PTEnvel2, pt_envelope_2ph, saturation_temperature integer :: fu - type(EquilibriaState) :: sat + type(EquilibriumState) :: sat type(PTEnvel2) :: env sat = saturation_pressure(model, n, T=300._pr, kind="bubble") diff --git a/example/tutorials/phase_envelope.f90 b/example/tutorials/phase_envelope.f90 index 6b7df2a61..a2d82b7b5 100644 --- a/example/tutorials/phase_envelope.f90 +++ b/example/tutorials/phase_envelope.f90 @@ -4,7 +4,7 @@ program phase_envelope implicit none class(ArModel), allocatable :: model ! model - type(EquilibriaState) :: bubble ! + type(EquilibriumState) :: bubble ! type(PTEnvel2) :: envelope integer, parameter :: nc=2 diff --git a/example/tutorials/saturation_points.f90 b/example/tutorials/saturation_points.f90 index b44ec8bc5..26b8c1fe8 100644 --- a/example/tutorials/saturation_points.f90 +++ b/example/tutorials/saturation_points.f90 @@ -4,13 +4,13 @@ ! - saturation_pressure ! - saturation_temperature ! -! All the outputs of this functions use the `EquilibriaState` type +! All the outputs of this functions use the `EquilibriumState` type program saturation use yaeos use yaeos__example_tools, only: methane_butane_pr76 class(ArModel), allocatable :: model - type(EquilibriaState) :: sat_point + type(EquilibriumState) :: sat_point real(pr) :: n(2), T diff --git a/python/yaeos/fortran_wrap/yaeos_c.f90 b/python/yaeos/fortran_wrap/yaeos_c.f90 index 837a95868..c1a25820a 100644 --- a/python/yaeos/fortran_wrap/yaeos_c.f90 +++ b/python/yaeos/fortran_wrap/yaeos_c.f90 @@ -246,8 +246,8 @@ end subroutine fug_vt ! Phase equilibria ! -------------------------------------------------------------------------- subroutine equilibria_state_to_arrays(eq_state, x, y, P, T, Vx, Vy, beta) - use yaeos, only: EquilibriaState - type(EquilibriaState) :: eq_state + use yaeos, only: EquilibriumState + type(EquilibriumState) :: eq_state real(c_double), intent(out) :: x(:) real(c_double), intent(out) :: y(:) real(c_double), intent(out) :: P @@ -266,7 +266,7 @@ subroutine equilibria_state_to_arrays(eq_state, x, y, P, T, Vx, Vy, beta) end subroutine equilibria_state_to_arrays subroutine flash(id, z, T, P, x, y, k0, Pout, Tout, Vx, Vy, beta) - use yaeos, only: EquilibriaState, fflash => flash + use yaeos, only: EquilibriumState, fflash => flash integer(c_int), intent(in) :: id real(c_double), intent(in) :: z(:) real(c_double), intent(in) :: T @@ -280,7 +280,7 @@ subroutine flash(id, z, T, P, x, y, k0, Pout, Tout, Vx, Vy, beta) real(c_double), intent(out) :: Vy real(c_double), intent(out) :: beta - type(EquilibriaState) :: result + type(EquilibriumState) :: result integer :: iters result = fflash(ar_models(id)%model, z, t, p_spec=p, iters=iters) @@ -299,7 +299,7 @@ subroutine flash(id, z, T, P, x, y, k0, Pout, Tout, Vx, Vy, beta) end subroutine flash subroutine saturation_pressure(id, z, T, kind, P, x, y, Vx, Vy, beta) - use yaeos, only: EquilibriaState, fsaturation_pressure => saturation_pressure + use yaeos, only: EquilibriumState, fsaturation_pressure => saturation_pressure integer(c_int), intent(in) :: id real(c_double), intent(in) :: z(:) real(c_double), intent(in) :: T @@ -312,7 +312,7 @@ subroutine saturation_pressure(id, z, T, kind, P, x, y, Vx, Vy, beta) real(c_double) :: aux - type(EquilibriaState) :: sat + type(EquilibriumState) :: sat sat = fsaturation_pressure(ar_models(id)%model, z, T, kind) call equilibria_state_to_arrays(sat, x, y, P, aux, Vx, Vy, beta) @@ -321,7 +321,7 @@ end subroutine saturation_pressure subroutine pt2_phase_envelope(id, z, kind, Ts, Ps, tcs, pcs, T0, P0) use yaeos, only: & saturation_pressure, saturation_temperature, pt_envelope_2ph, & - EquilibriaState, PTEnvel2 + EquilibriumState, PTEnvel2 integer(c_int), intent(in) :: id real(c_double), intent(in) :: z(:) character(len=15), intent(in) :: kind @@ -331,7 +331,7 @@ subroutine pt2_phase_envelope(id, z, kind, Ts, Ps, tcs, pcs, T0, P0) real(c_double), optional, intent(in) :: T0, P0 real(8) :: makenan, nan - type(EquilibriaState) :: sat + type(EquilibriumState) :: sat type(PTEnvel2) :: env integer :: i, neval=0 diff --git a/src/fitting/fit_kij_lij.f90 b/src/fitting/fit_kij_lij.f90 index 5ba755727..bc079c46c 100644 --- a/src/fitting/fit_kij_lij.f90 +++ b/src/fitting/fit_kij_lij.f90 @@ -20,7 +20,7 @@ module yaeos__fitting_fit_kij_lij !! ```fortran !! type(CubicEoS) :: model ! Model to fit !! type(FitKijLij) :: fitting_problem ! Fitting problem specification - !! type(EquilibriaState) :: exp_data(3) + !! type(EquilibriumState) :: exp_data(3) !! real(pr) :: X(2) ! parameter variables !! real(pr) :: error !! diff --git a/src/fitting/fitting.f90 b/src/fitting/fitting.f90 index 761081e97..c0e8123d1 100644 --- a/src/fitting/fitting.f90 +++ b/src/fitting/fitting.f90 @@ -2,7 +2,7 @@ module yaeos__fitting use yaeos__constants, only: pr use yaeos__models, only: ArModel, CubicEoS use yaeos__equilibria, only: & - EquilibriaState, saturation_pressure, saturation_temperature, flash + EquilibriumState, saturation_pressure, saturation_temperature, flash use forbear, only: bar_object implicit none @@ -19,7 +19,7 @@ module yaeos__fitting class(ArModel), allocatable :: model - type(EquilibriaState), allocatable :: experimental_points(:) + type(EquilibriumState), allocatable :: experimental_points(:) logical :: verbose = .false. contains procedure(model_from_X), deferred :: get_model_from_X @@ -132,8 +132,8 @@ real(pr) function error_function(X, func_data) result(fobj) real(pr), intent(in) :: X(:) class(FittingProblem) :: func_data - type(EquilibriaState) :: model_point !! Each solved point - type(EquilibriaState) :: exp_point + type(EquilibriumState) :: model_point !! Each solved point + type(EquilibriumState) :: exp_point integer :: i diff --git a/src/phase_equilibria/boundaries/phase_envelopes_pt.f90 b/src/phase_equilibria/boundaries/phase_envelopes_pt.f90 index c31423a02..cc13cd2e8 100644 --- a/src/phase_equilibria/boundaries/phase_envelopes_pt.f90 +++ b/src/phase_equilibria/boundaries/phase_envelopes_pt.f90 @@ -2,7 +2,7 @@ module yaeos__phase_equilibria_boundaries_phase_envelopes_pt !! Phase boundaries line on the \(PT\) plane calculation procedures. use yaeos__constants, only: pr use yaeos__models, only: ArModel - use yaeos__equilibria_equilibria_state, only: EquilibriaState + use yaeos__equilibria_equilibria_state, only: EquilibriumState use yaeos__math_continuation, only: & continuation, continuation_solver, continuation_stopper implicit none @@ -16,7 +16,7 @@ module yaeos__phase_equilibria_boundaries_phase_envelopes_pt type :: PTEnvel2 !! Two-phase isopleth. !! Phase boundary line of a fluid at constant composition. - type(EquilibriaState), allocatable :: points(:) + type(EquilibriumState), allocatable :: points(:) !! Each point through the line. type(CriticalPoint), allocatable :: cps(:) !! Critical points found along the line. @@ -44,7 +44,7 @@ function pt_envelope_2ph(& !! Thermodyanmic model real(pr), intent(in) :: z(:) !! Vector of molar fractions - type(EquilibriaState) :: first_point + type(EquilibriumState) :: first_point integer, optional, intent(in) :: points !! Maxmimum number of points, defaults to 500 integer, optional, intent(in) :: iterations @@ -238,14 +238,14 @@ subroutine save_point(X, iters) !! Save the converged point real(pr), intent(in) :: X(:) integer, intent(in) :: iters - type(EquilibriaState) :: point + type(EquilibriumState) :: point real(pr) :: y(nc), T, P T = exp(X(nc+1)) P = exp(X(nc+2)) y = exp(X(:nc))*z - point = EquilibriaState(& + point = EquilibriumState(& kind=kind, x=z, Vx=0._pr, y=y, Vy=0._pr, & T=T, P=P, beta=0._pr, iters=iters & ) diff --git a/src/phase_equilibria/equilibria_state.f90 b/src/phase_equilibria/equilibria_state.f90 index c4e2f8aa1..80c34a6a8 100644 --- a/src/phase_equilibria/equilibria_state.f90 +++ b/src/phase_equilibria/equilibria_state.f90 @@ -2,7 +2,7 @@ module yaeos__equilibria_equilibria_state use yaeos__constants, only: pr implicit none - type :: EquilibriaState + type :: EquilibriumState !! Description of a two-phase equilibria state. !! !! Contains the relevant information of an equilibrium point obtained @@ -27,14 +27,14 @@ module yaeos__equilibria_equilibria_state !! Mole fraction of light-phase contains private - procedure, pass :: write => write_EquilibriaState + procedure, pass :: write => write_EquilibriumState generic, public :: write (FORMATTED) => write - end type EquilibriaState + end type EquilibriumState contains - subroutine write_EquilibriaState(eq, unit, iotype, v_list, iostat, iomsg) - class(EquilibriaState), intent(in) :: eq + subroutine write_EquilibriumState(eq, unit, iotype, v_list, iostat, iomsg) + class(EquilibriumState), intent(in) :: eq integer, intent(in) :: unit character(*), intent(in) :: iotype integer, intent(in) :: v_list(:) @@ -45,5 +45,5 @@ subroutine write_EquilibriaState(eq, unit, iotype, v_list, iostat, iomsg) write(unit, *) eq%kind, eq%T, eq%P, eq%beta, eq%x, eq%y - end subroutine write_EquilibriaState + end subroutine write_EquilibriumState end module yaeos__equilibria_equilibria_state diff --git a/src/phase_equilibria/flash.f90 b/src/phase_equilibria/flash.f90 index b658181b4..767aa6360 100644 --- a/src/phase_equilibria/flash.f90 +++ b/src/phase_equilibria/flash.f90 @@ -1,14 +1,14 @@ module yaeos__equilibria_flash use yaeos__constants, only: pr use yaeos__models, only: ArModel - use yaeos__equilibria_equilibria_state, only: EquilibriaState + use yaeos__equilibria_equilibria_state, only: EquilibriumState use yaeos__phase_equilibria_rachford_rice, only: betato01, betalimits, rachford_rice, solve_rr use yaeos__phase_equilibria_auxiliar, only: k_wilson implicit none contains - type(EquilibriaState) function flash(model, z, t, v_spec, p_spec, k0, iters) + type(EquilibriumState) function flash(model, z, t, v_spec, p_spec, k0, iters) !! Flash algorithm using sucessive substitutions. !! !! Available specifications: diff --git a/src/phase_equilibria/phase_equilibria.f90 b/src/phase_equilibria/phase_equilibria.f90 index 346f3b930..29d1c8bdd 100644 --- a/src/phase_equilibria/phase_equilibria.f90 +++ b/src/phase_equilibria/phase_equilibria.f90 @@ -1,5 +1,5 @@ module yaeos__equilibria - use yaeos__equilibria_equilibria_state, only: EquilibriaState + use yaeos__equilibria_equilibria_state, only: EquilibriumState use yaeos__equilibria_flash, only: flash use yaeos__equilibria_saturation_points, only:& saturation_pressure, saturation_temperature diff --git a/src/phase_equilibria/saturations_points.f90 b/src/phase_equilibria/saturations_points.f90 index 4dc1a8e22..ef8377a64 100644 --- a/src/phase_equilibria/saturations_points.f90 +++ b/src/phase_equilibria/saturations_points.f90 @@ -1,7 +1,7 @@ module yaeos__equilibria_saturation_points use yaeos__constants, only: pr use yaeos__models, only: ArModel - use yaeos__equilibria_equilibria_state, only: EquilibriaState + use yaeos__equilibria_equilibria_state, only: EquilibriumState use yaeos__phase_equilibria_auxiliar, only: k_wilson real(pr) :: tol = 1e-9_pr @@ -10,7 +10,7 @@ module yaeos__equilibria_saturation_points contains - type(EquilibriaState) function saturation_pressure(model, n, t, kind, p0, y0, max_iters) + type(EquilibriumState) function saturation_pressure(model, n, t, kind, p0, y0, max_iters) !! Saturation pressure calculation function. !! !! Calculates the saturation pressure of a multicomponent mixture with @@ -105,21 +105,21 @@ type(EquilibriaState) function saturation_pressure(model, n, t, kind, p0, y0, ma ! ======================================================================== select case(kind) case("bubble") - saturation_pressure = EquilibriaState(kind="bubble", & + saturation_pressure = EquilibriumState(kind="bubble", & iters=its, y=y, x=z, vx=vz, vy=vy, t=t, p=p, beta=0._pr& ) case("dew") - saturation_pressure = EquilibriaState(kind="dew", & + saturation_pressure = EquilibriumState(kind="dew", & iters=its, x=y, y=z, vy=vz, vx=vy, t=t, p=p, beta=1._pr& ) case("liquid-liquid") - saturation_pressure = EquilibriaState(kind="liquid-liquid", & + saturation_pressure = EquilibriumState(kind="liquid-liquid", & iters=its, y=y, x=z, vx=vz, vy=vy, t=t, p=p, beta=0._pr& ) end select end function saturation_pressure - type(EquilibriaState) function saturation_temperature(model, n, p, kind, t0, y0, max_iters) + type(EquilibriumState) function saturation_temperature(model, n, p, kind, t0, y0, max_iters) !! Saturation temperature calculation function. !! !! Calculates the saturation pressure of a multicomponent mixture with @@ -209,15 +209,15 @@ type(EquilibriaState) function saturation_temperature(model, n, p, kind, t0, y0, ! ======================================================================== select case(kind) case("bubble") - saturation_temperature = EquilibriaState(kind="bubble", & + saturation_temperature = EquilibriumState(kind="bubble", & iters=its, y=y, x=z, vx=vz, vy=vy, t=t, p=p, beta=0._pr& ) case("dew") - saturation_temperature = EquilibriaState(kind="dew", & + saturation_temperature = EquilibriumState(kind="dew", & iters=its, x=y, y=z, vy=vz, vx=vy, t=t, p=p, beta=1._pr& ) case("liquid-liquid") - saturation_temperature = EquilibriaState(kind="liquid-liquid", & + saturation_temperature = EquilibriumState(kind="liquid-liquid", & iters=its, y=y, x=z, vx=vz, vy=vy, t=t, p=p, beta=0._pr& ) end select diff --git a/test/test_fitting/test_fitting.f90 b/test/test_fitting/test_fitting.f90 index 8fa7dd6dc..b7e848211 100644 --- a/test/test_fitting/test_fitting.f90 +++ b/test/test_fitting/test_fitting.f90 @@ -19,10 +19,10 @@ subroutine test_fit_kij_lij(error) use yaeos__fitting, only: optimize, error_function use yaeos__fitting_fit_kij_lij, only: FitKijLij use yaeos__models, only: ArModel, SoaveRedlichKwong - use yaeos__equilibria, only: EquilibriaState + use yaeos__equilibria, only: EquilibriumState type(error_type), allocatable, intent(out) :: error class(ArModel), allocatable :: model - type(EquilibriaState) :: exp_points + type(EquilibriumState) :: exp_points real(pr) :: Tc(2) = [126.2, 568.7] real(pr) :: pc(2) = [33.98, 24.90] @@ -33,7 +33,7 @@ subroutine test_fit_kij_lij(error) type(FitKijLij) :: fitting_problem exp_points = & - EquilibriaState( & + EquilibriumState( & kind="bubble", T=344.5_pr, P=23.9_pr, & x=[0.0309_pr, 1 - 0.0309_pr], y=[0.9883_pr, 1 - 0.9883_pr], & Vx=0._pr, Vy=0._pr, beta=0.0_pr & @@ -63,12 +63,12 @@ subroutine test_fit_mhv_nrtl(error) use yaeos__fitting, only: optimize, error_function use yaeos__fitting_fit_nrtl_mhv, only: FitMHVNRTL use yaeos__models, only: CubicEoS, GeModel, NRTL, SoaveRedlichKwong, MHV - use yaeos__equilibria, only: EquilibriaState + use yaeos__equilibria, only: EquilibriumState type(error_type), allocatable, intent(out) :: error type(CubicEoS) :: model type(NRTL) :: ge_model type(MHV) :: mixrule - type(EquilibriaState) :: exp_point + type(EquilibriumState) :: exp_point real(pr) :: Tc(2) = [126.2, 568.7] real(pr) :: pc(2) = [33.98, 24.90] @@ -78,7 +78,7 @@ subroutine test_fit_mhv_nrtl(error) type(FitMHVNRTL) :: fitting_problem - exp_point = EquilibriaState( & + exp_point = EquilibriumState( & kind="bubble", T=344.5_pr, P=23.9_pr, & x=[0.0309_pr, 1 - 0.0309_pr], y=[0.9883_pr, 1 - 0.9883_pr], & Vx=0._pr, Vy=0._pr, beta=0.0_pr & diff --git a/test/test_flash.f90 b/test/test_flash.f90 index 53dd1a03d..0e8418f06 100644 --- a/test/test_flash.f90 +++ b/test/test_flash.f90 @@ -59,7 +59,7 @@ subroutine test_tm(error) end subroutine test_tm subroutine test_flash_pt(error) - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel type(error_type), allocatable, intent(out) :: error integer, parameter :: nc = 2 @@ -70,7 +70,7 @@ subroutine test_flash_pt(error) real(pr) :: vy = 0.32922132295944545 class(ArModel), allocatable :: model - type(EquilibriaState) :: flash_result + type(EquilibriumState) :: flash_result real(pr) :: tc(nc), pc(nc), w(nc) real(pr) :: n(nc), p, t, k0(nc) @@ -95,7 +95,7 @@ subroutine test_flash_pt(error) end subroutine test_flash_pt subroutine test_flash_tv(error) - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error @@ -109,7 +109,7 @@ subroutine test_flash_tv(error) real(pr) :: P = 6.097517429661468 class(ArModel), allocatable :: model - type(EquilibriaState) :: flash_result + type(EquilibriumState) :: flash_result real(pr) :: tc(nc), pc(nc), w(nc) real(pr) :: n(nc), t, k0(nc), v @@ -135,7 +135,7 @@ subroutine test_flash_tv(error) end subroutine test_flash_tv subroutine test_flash_pt_failed(error) - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel type(error_type), allocatable, intent(out) :: error integer, parameter :: nc = 2 @@ -146,7 +146,7 @@ subroutine test_flash_pt_failed(error) real(pr) :: vy = 0.32922132295944545 class(ArModel), allocatable :: model - type(EquilibriaState) :: flash_result + type(EquilibriumState) :: flash_result real(pr) :: tc(nc), pc(nc), w(nc) real(pr) :: n(nc), p, t, k0(nc) @@ -167,7 +167,7 @@ subroutine test_flash_pt_failed(error) end subroutine test_flash_pt_failed subroutine test_flash_pt_bad_spec(error) - use yaeos, only: pr, EquilibriaState, flash, PengRobinson76, ArModel + use yaeos, only: pr, EquilibriumState, flash, PengRobinson76, ArModel type(error_type), allocatable, intent(out) :: error integer, parameter :: nc = 2 @@ -178,7 +178,7 @@ subroutine test_flash_pt_bad_spec(error) real(pr) :: vy = 0.32922132295944545 class(ArModel), allocatable :: model - type(EquilibriaState) :: flash_result + type(EquilibriumState) :: flash_result real(pr) :: tc(nc), pc(nc), w(nc) real(pr) :: n(nc), p, t, k0(nc) diff --git a/test/test_implementations/ar_models/cubics/test_pr76.f90 b/test/test_implementations/ar_models/cubics/test_pr76.f90 index 61459b8ab..9ea8321cf 100644 --- a/test/test_implementations/ar_models/cubics/test_pr76.f90 +++ b/test/test_implementations/ar_models/cubics/test_pr76.f90 @@ -404,12 +404,12 @@ end subroutine test_pr76_fugacities subroutine test_pr76_txy_methanol_benzene(error) ! Txy methanol-benzene from Elliot's book using saturation_temperature ! function. - use yaeos, only: pr, PengRobinson76, ArModel, EquilibriaState + use yaeos, only: pr, PengRobinson76, ArModel, EquilibriumState use yaeos, only: saturation_temperature type(error_type), allocatable, intent(out) :: error class(ArModel), allocatable :: model - type(EquilibriaState) :: sat_t + type(EquilibriumState) :: sat_t real(pr) :: z(2), error_sum real(pr) :: x_bubble_nokij(18), t_bubble_nokij(18) @@ -546,13 +546,13 @@ end subroutine test_pr76_txy_methanol_benzene subroutine test_pr76_pxy_nitrogen_methane(error) ! Pxy nitrogen-methane from Elliot's book using saturation_pressure ! function. - use yaeos, only: pr, PengRobinson76, ArModel, EquilibriaState + use yaeos, only: pr, PengRobinson76, ArModel, EquilibriumState use yaeos, only: saturation_pressure type(error_type), allocatable, intent(out) :: error class(ArModel), allocatable :: model - type(EquilibriaState) :: psat + type(EquilibriumState) :: psat real(pr) :: T, y_dew(9), p_dew(9), x_bubble(10), p_bubble(10), z(2) real(pr) :: error_sum @@ -592,13 +592,13 @@ subroutine test_pr76_pxy_nitrogen_methane(error) end subroutine test_pr76_pxy_nitrogen_methane subroutine test_pr76_envelope_ethane_heptane(error) - use yaeos, only: pr, ArModel, EquilibriaState, PTEnvel2, PengRobinson76 + use yaeos, only: pr, ArModel, EquilibriumState, PTEnvel2, PengRobinson76 use yaeos, only: saturation_pressure, pt_envelope_2ph type(error_type), allocatable, intent(out) :: error class(ArModel), allocatable :: model - type(EquilibriaState) :: bubble + type(EquilibriumState) :: bubble type(PTEnvel2) :: envelope real(pr) :: z(2) diff --git a/test/test_saturation.f90 b/test/test_saturation.f90 index 36e1b807a..5fba30b84 100644 --- a/test/test_saturation.f90 +++ b/test/test_saturation.f90 @@ -20,14 +20,14 @@ subroutine collect_suite(testsuite) end subroutine collect_suite subroutine test_bubble_pressure(error) - use yaeos, only: pr, EquilibriaState, saturation_pressure, ArModel + use yaeos, only: pr, EquilibriumState, saturation_pressure, ArModel use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error integer, parameter :: nc = 2 class(ArModel), allocatable :: model - type(EquilibriaState) :: bubble + type(EquilibriumState) :: bubble real(pr) :: x(nc) = [0.4, 0.6] real(pr) :: y(nc) = [0.84203837140677695, 0.15796162859550475] @@ -46,7 +46,7 @@ subroutine test_bubble_pressure(error) end subroutine subroutine test_dew_pressure(error) - use yaeos, only: pr, EquilibriaState, saturation_pressure, ArModel + use yaeos, only: pr, EquilibriumState, saturation_pressure, ArModel use yaeos__phase_equilibria_auxiliar, only: k_wilson use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error @@ -54,7 +54,7 @@ subroutine test_dew_pressure(error) integer, parameter :: nc = 2 class(ArModel), allocatable :: model - type(EquilibriaState) :: dew + type(EquilibriumState) :: dew real(pr) :: x(nc) = [6.7245630132141868E-002, 0.93275436999337613] real(pr) :: y(nc) = [0.4, 0.6] @@ -77,7 +77,7 @@ subroutine test_dew_pressure(error) end subroutine subroutine test_dew_temperature(error) - use yaeos, only: pr, EquilibriaState, saturation_temperature, ArModel + use yaeos, only: pr, EquilibriumState, saturation_temperature, ArModel use yaeos__phase_equilibria_auxiliar, only: k_wilson use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error @@ -85,7 +85,7 @@ subroutine test_dew_temperature(error) integer, parameter :: nc = 2 class(ArModel), allocatable :: model - type(EquilibriaState) :: dew + type(EquilibriumState) :: dew real(pr) :: x(nc) = [6.7245630132141868E-002, 0.93275436999337613] real(pr) :: y(nc) = [0.4, 0.6] @@ -107,14 +107,14 @@ subroutine test_dew_temperature(error) end subroutine subroutine test_bubble_temperature(error) - use yaeos, only: pr, EquilibriaState, saturation_temperature, ArModel, saturation_pressure, PTEnvel2, pt_envelope_2ph + use yaeos, only: pr, EquilibriumState, saturation_temperature, ArModel, saturation_pressure, PTEnvel2, pt_envelope_2ph use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error integer, parameter :: nc = 2 class(ArModel), allocatable :: model - type(EquilibriaState) :: bubble + type(EquilibriumState) :: bubble real(pr) :: x(nc) = [0.4, 0.6] real(pr) :: y(nc) = [0.84203837140677695, 0.15796162859550475] @@ -133,13 +133,13 @@ subroutine test_bubble_temperature(error) end subroutine subroutine test_envelope(error) - use yaeos, only: pr, EquilibriaState, saturation_pressure, ArModel + use yaeos, only: pr, EquilibriumState, saturation_pressure, ArModel use yaeos__phase_equilibria_boundaries_phase_envelopes_pt, only: & pt_envelope_2ph, PTEnvel2 use fixtures_models, only: binary_PR76 type(error_type), allocatable, intent(out) :: error - type(EquilibriaState) :: bubble + type(EquilibriumState) :: bubble class(ArModel), allocatable :: model type(PTEnvel2) :: envelope real(pr) :: z(2) = [0.4_pr, 0.6_pr]