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Thermodynamics properties and equilibria calculations for chemical engineering.
There is a newer version: 3.5
//package termo.equilibrium;
//
//import java.util.ArrayList;
//import java.util.HashMap;
//import termo.binaryParameter.BinaryInteractionParameter;
//import termo.component.Component;
//import termo.eos.Cubic;
//import static termo.equilibrium.EquilibriumFunctions.*;
//
///**
// *
// * @author Hugo Redon Rivera
// */
//public class BubblePoint extends PhaseEquilibria{
//   
//    @Override
//      public EquilibriaPhaseSolution getTemperature(
//                double temperature,
//              double pressure, 
//              ArrayList components,
//              HashMap liquidFractions, 
//              HashMap vaporFractions,
//              Cubic eos,
//              BinaryInteractionParameter kinteraction,
//              double tolerance){
//        
//        HashMap K;
//        double sy;
//        double e = 100;
//        double deltaT = 1;
//        double T_;
//        HashMap k_;
//        double Sy_;
//        double e_;     
//        if(components.size() == 1){
//            liquidFractions = new HashMap<>();
//            liquidFractions.put(components.get(0), 1.0);
//            vaporFractions = new HashMap<>();
//            vaporFractions.put(components.get(0), 1.0);
//        }
//        int count = 0;
//        while(e >= tolerance || count == 1000){
//            K =  equilibriumRelations(temperature, components, liquidFractions, pressure, vaporFractions, eos,kinteraction);
//            sy = calculateSy(K, liquidFractions, components);
//            e = Math.log(sy);
//            T_ = temperature + deltaT;
//            k_ = equilibriumRelations(T_, components, liquidFractions, pressure, vaporFractions, eos,kinteraction);
//            Sy_ = calculateSy(k_, liquidFractions, components);
//            e_ = Math.log(Sy_);
//            temperature = temperature * T_ * (e_ - e) / (T_ * e_ - temperature * e);
//            K = equilibriumRelations(temperature, components, liquidFractions, pressure, vaporFractions, eos,kinteraction);
//            sy = calculateSy(K, liquidFractions, components);
//            vaporFractions = calculateNewYFractions(K, liquidFractions, components, sy);
//        }
//        return new MixtureEquilibriaPhaseSolution(temperature,pressure, liquidFractions,vaporFractions, count);  
//    }
//    
//    @Override
//  public EquilibriaPhaseSolution getPressureEstimate(
//        double temperature,
//        HashMap liquidFractions)
//  {
//      HashMap vaporPressures = new HashMap<>();
//      double pressure= 0;
//      int  iterations = 0;
//      for( Component component : liquidFractions.keySet()){
//          double vaporP = 1;// EquilibriumFunctions.getPureComponentVaporPressure(component, temperature);//pc * Math.pow(10,(-7d/3d)* (1+w) * ((tc/temperature) - 1 ) );
//          vaporPressures.put(component, vaporP);
//          pressure += vaporP * liquidFractions.get(component);  
//      }
//      HashMap  vaporFractions = EquilibriumFunctions.getVaporFractionsRaoultsLaw(pressure, liquidFractions, vaporPressures);
//      return new EquilibriaPhaseSolution(temperature,pressure,liquidFractions, vaporFractions, iterations);    
//  }
//    @Override
//  public EquilibriaPhaseSolution getTemperatureEstimate(double pressure,
//          HashMap liquidFractions
//          ){
//      double temperature =  300;
//      double calcPressure;
//      double error = 100;
//      double deltaT =1;
//      double T_;
//      double tol = 1e4;
//      double calcP_;
//      double error_;  
//      HashMap vaporFractions  = new HashMap<>();
//      
//      int iterations =0;
//      while (error >tol  || iterations == 1000){
//          iterations++;
//            calcPressure = 0;
//            calcP_ = 0;
//            T_  = temperature + deltaT;
//           for (Component component : liquidFractions.keySet() ){
//               double vaporPressure =1;// EquilibriumFunctions.getPureComponentVaporPressure(component, temperature);
//               double pi = vaporPressure * liquidFractions.get(component);
//               calcPressure += pi;
//               double vaporPressure_ =1;// EquilibriumFunctions.getPureComponentVaporPressure(component, T_);
//               double pi_ = vaporPressure_ * liquidFractions.get(component);
//               calcP_  += pi_;
//           }
//           error = Math.log(calcPressure / pressure);
//           error_ = Math.log(calcP_ / pressure);
//           temperature = (temperature * T_ *(error_ - error)) / (T_ * error_ - temperature * error);
//      } 
//      for(Component component: liquidFractions.keySet()){
//          double vp =1;// EquilibriumFunctions.getPureComponentVaporPressure(component, temperature);
//          double yi = vp * liquidFractions.get(component) / pressure;
//          vaporFractions.put(component, yi);
//      }
//      return new EquilibriaPhaseSolution(temperature, pressure,liquidFractions,vaporFractions, iterations);
//  }
//  
//  @Override
//    public EquilibriaPhaseSolution getPressure(
//            double temperature,
//            double p,
//            ArrayList components,
//            HashMap liquidFractions,
//            HashMap vaporFractions,
//            Cubic eos,
//            BinaryInteractionParameter kinteraction,
//            double tolerance){ 
//    
//      HashMap k ;
//      HashMap k_;
//      double sy;
//      double sy_;
//      double deltaP = 0.0001;
//      double e = 10;
//      double e_;
//      double p_;
//       
//      if(components.size() == 1){
//          liquidFractions = new HashMap<>();
//          liquidFractions.put(components.get(0), 1.0);
//          vaporFractions = new HashMap<>();
//          vaporFractions.put(components.get(0), 1.0);
//      } 
//      
//      int count = 0;
//      while(Math.abs(e) > tolerance || count == 1000 ){         
//            count++;
//            k = equilibriumRelations(temperature, components, liquidFractions, p, vaporFractions, eos,kinteraction);
//            sy = calculateSy(k, liquidFractions, components);
//            e = sy -1;
//            p_ = p * (1 + deltaP); 
//            k_ = equilibriumRelations(temperature, components, liquidFractions, p_, vaporFractions, eos,kinteraction);
//            sy_ = calculateSy(k_, liquidFractions, components);    
//            e_ = sy_-1;
//            p = ((p * p_ )* (e_ - e)) / ((p_ * e_) - (p * e));      
//            k = equilibriumRelations(temperature, components, liquidFractions, p, vaporFractions, eos,kinteraction);
//            sy = calculateSy(k, liquidFractions, components);    
//            vaporFractions = calculateNewYFractions(k, liquidFractions, components, sy);          
//      }  
//      return new EquilibriaPhaseSolution(temperature,p,liquidFractions, vaporFractions, count);
//    }
//}
//////