REQUIRE "thermodynamics.a4l";
REQUIRE "stream_holdup.a4l";

(*
  -----------------------------------------
  Example 1 - Ideal Vapor Component
  -----------------------------------------
*)


MODEL howto_thermo_ex1 REFINES cmumodel;
   cd IS_A components_data(['water'], 'water');
   P IS_A pressure;
   T IS_A temperature;
   ivc IS_A ideal_vapor_component(P, T, cd.data['water']);

METHODS
   METHOD default_self;
      RUN ivc.default_self;
   END default_self;

   METHOD scale_self;
      RUN ivc.scale_self;
   END scale_self;

   METHOD specify;
      RUN ivc.specify;
   END specify;

   METHOD values;
      P := 1 {atm};
      T := 400 {K};
   END values;

END howto_thermo_ex1;

(*
  -----------------------------------------
  Example 2 - Liquid Component
  -----------------------------------------
*)

MODEL howto_thermo_ex2 REFINES cmumodel;
   cd IS_A components_data(['water'], 'water');
   P IS_A pressure;
   T IS_A temperature;
   ivc IS_A Rackett_liquid_component(P, T, cd.data['water']);

METHODS
   METHOD default_self;
      RUN ivc.default_self;
   END default_self;

   METHOD scale_self;
      RUN ivc.scale_self;
   END scale_self;

   METHOD specify;
      RUN ivc.specify;
   END specify;

   METHOD reset_VP_problem;
      RUN ivc.specify;
      ivc.T.fixed := FALSE;
      ivc.VP.fixed := TRUE;
      ivc.VP := 1 {atm};
   END reset_VP_problem;

   METHOD values;
      P := 1 {atm};
      T := 300 {K};
   END values;

END howto_thermo_ex2;

(*
  -----------------------------------------
  Example 3 - Ideal Vapor Mixture                 
  -----------------------------------------
*)

MODEL howto_thermo_ex3 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   ivm IS_A ideal_vapor_mixture(cd);

METHODS
   METHOD default_self;
      RUN ivm.default_self;
   END default_self;

   METHOD scale_self;
      RUN ivm.scale_self; 
   END scale_self;

   METHOD specify;
      RUN ivm.specify;
   END specify;

   METHOD values;
      ivm.P := 1 {atm};
      ivm.T := 400 {K};
      ivm.y['ethanol'] := 0.4; 
   END values;

END howto_thermo_ex3;


(*
  -----------------------------------------
  Example 4 - Pitzer Vapor Mixture                 
  -----------------------------------------
*)

MODEL howto_thermo_ex4 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   ivm IS_A Pitzer_vapor_mixture(cd);

METHODS
   METHOD default_self;
      RUN ivm.default_self;
   END default_self;

   METHOD scale_self;
      RUN ivm.scale_self; 
   END scale_self;

   METHOD specify;
      RUN ivm.specify;
   END specify;

   METHOD values;
      ivm.P := 1 {atm};
      ivm.T := 400 {K};
      ivm.y['ethanol'] := 0.4; 
   END values;

END howto_thermo_ex4;

(*
  -----------------------------------------
  Example 4b - UNIFAC Liquid Mixture                 
  -----------------------------------------
*)

MODEL howto_thermo_ex4b REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   ulm IS_A UNIFAC_liquid_mixture(cd);

METHODS
   METHOD default_self;
      RUN ulm.default_self;
   END default_self;

   METHOD scale_self;
      RUN ulm.scale_self; 
   END scale_self;

   METHOD specify;
      RUN ulm.specify;
   END specify;

   METHOD values;
      ulm.P := 1 {atm};
      ulm.T := 300 {K};
      ulm.y['ethanol'] := 0.4; 
   END values;

END howto_thermo_ex4b;


(*
  -----------------------------------------
  Example 5 - Ideal Vapor Mixture 
              (general interface)                 
  -----------------------------------------
*)

MODEL howto_thermo_ex5 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('V', 'ideal_vapor_mixture', 'none', 'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
      smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd, phase, equilibrated);

METHODS
   METHOD default_self;
      RUN state.default_self;
   END default_self;

   METHOD scale_self;
      RUN state.scale_self; 
   END scale_self;

   METHOD specify;
      RUN state.specify;
   END specify;

   METHOD values;
      state.P := 1 {atm};
      state.T := 450 {K};
      state.y['ethanol'] := 0.4; 
      equilibrated := TRUE;
   END values;

END howto_thermo_ex5;


(*
  -----------------------------------------
  Example 6 - Unifac Liquid Mixture 
              (general interface)                 
  -----------------------------------------
*)

MODEL howto_thermo_ex6 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('L', 'none', 'UNIFAC_liquid_mixture', 'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
      smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd, phase, equilibrated);

METHODS
   METHOD default_self;
      RUN state.default_self;
   END default_self;

   METHOD scale_self;
      RUN state.scale_self; 
   END scale_self;

   METHOD specify;
      RUN state.specify;
   END specify;

   METHOD values;
      state.P := 1 {atm};
      state.T := 300 {K};
      state.y['ethanol'] := 0.4; 
      equilibrated := TRUE;
   END values;

END howto_thermo_ex6;

(*
  ---------------------------------------------
  Example 7 - VL Mixture 
              (relative volatility equilibrium)
  ---------------------------------------------
*)

MODEL howto_thermo_ex7 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('VL', 'ideal_vapor_mixture', 'UNIFAC_liquid_mixture', 
                       'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
      smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd, phase, equilibrated);

METHODS
   METHOD default_self;
      RUN state.default_self;
   END default_self;

   METHOD scale_self;
      RUN state.scale_self; 
   END scale_self;

   METHOD specify;
      RUN state.specify;
   END specify;

   METHOD values;
      state.P := 1 {atm};
      state.T := 360 {K};
      state.y['ethanol'] := 0.4;
      state.phase['vapor'].alpha['ethanol'] := 2;
      state.phase['vapor'].alpha['water'] := 1;
      equilibrated := TRUE;
   END values;

END howto_thermo_ex7;


(*
  --------------------------------------------
  Example 8 - VL Component 
              (chemical potencial equilibrium)
  --------------------------------------------
*)

MODEL howto_thermo_ex8 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('VL', 'ideal_vapor_mixture', 'UNIFAC_liquid_mixture', 
                       'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
      smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd,phase, equilibrated);

METHODS
   METHOD default_self;
      RUN state.default_self;
   END default_self;

   METHOD scale_self;
      RUN state.scale_self; 
   END scale_self;

   METHOD specify;
      RUN state.specify;
   END specify;

   METHOD values;
      state.P := 1 {atm};
      state.T := 300 {K};
      state.y['ethanol'] := 0.5; 
      equilibrated := TRUE;
   END values;

   METHOD reset_Px;
      equilibrated := TRUE;
      RUN state.specify;
      state.T.fixed := FALSE;
      state.phase['liquid1'].y['water'].fixed := TRUE;
      state.P := 1 {atm};
      state.y['ethanol'] := 0.5;
      state.phase['liquid1'].y['water'] := 0.6;
   END reset_Px;

END howto_thermo_ex8;


(*
  --------------------------------------------
  Example 9 - VL Equilibrim Chart 
  --------------------------------------------
*)

MODEL howto_thermo_ex9 REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('VL', 'Pitzer_vapor_mixture', 'UNIFAC_liquid_mixture', 
                       'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
      smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd,phase, equilibrated);

METHODS
   METHOD default_self;
      RUN state.default_self;
   END default_self;

   METHOD scale_self;
      RUN state.scale_self; 
   END scale_self;

   METHOD specify;
      RUN state.specify;
   END specify;

   METHOD values;
      state.P := 1 {atm};
      state.T := 300 {K};
      state.y['ethanol'] := 0.5; 
      equilibrated := TRUE;
   END values;

   METHOD reset_Px;
      equilibrated := TRUE;
      RUN state.specify;
      state.T.fixed := FALSE;
      state.phase['liquid1'].y['water'].fixed := TRUE;
      state.P := 1 {atm};
      state.y['ethanol'] := 0.5;
      state.phase['liquid1'].y['water'] := 0.6;
   END reset_Px;

END howto_thermo_ex9;

MODEL chittur REFINES cmumodel;
   cd IS_A components_data(['water','ethanol'], 'water');
   pd IS_A phases_data('VL', 'Pitzer_vapor_mixture', 'UNIFAC_liquid_mixture', 
                       'none');
   equilibrated IS_A boolean;
   phases ALIASES pd.phases;

   FOR j IN phases CREATE
   smt[j] IS_A select_mixture_type(cd, pd.phase_type[j]);
   END FOR;

   FOR j IN phases CREATE
      phase[j] ALIASES smt[j].phase;
   END FOR;

   state IS_A thermodynamics(cd, pd,phase, equilibrated);

METHODS

   METHOD values;
      RUN state.default_self;
      RUN state.scale_self; 
      RUN state.specify;
      state.P := 1 {atm};
      state.P.fixed := FALSE;
      state.T := 363.15 {K};
      state.y['ethanol'] := 0.5; 
      equilibrated := TRUE;
      state.T.fixed := TRUE;
      state.phase['liquid1'].y['water'].fixed := TRUE;
      state.x['ethanol'] := 0.2464;
      state.x['ethanol'].fixed := TRUE;
      state.phase['liquid1'].y['water'] := 0.6;
   END values;

END chittur;