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Thermodynamics properties and
equilibria calculations for
chemical engineering.
package termo.component;
import java.io.Serializable;
import java.lang.annotation.Annotation;
import java.lang.reflect.Field;
import java.util.ArrayList;
import java.util.HashSet;
import java.util.Objects;
import java.util.Set;
import javax.persistence.CascadeType;
import javax.persistence.Entity;
import javax.persistence.FetchType;
import javax.persistence.GeneratedValue;
import javax.persistence.GenerationType;
import javax.persistence.Id;
import javax.persistence.OneToMany;
import javax.persistence.OneToOne;
import javax.persistence.Transient;
import termo.cp.CpEquation;
import termo.cp.DIPPR_107_Equation;
import termo.data.ExperimentalData;
import termo.data.ExperimentalDataList;
import termo.eos.alpha.Alpha;
import termo.eos.alpha.AlphaNames;
import termo.eos.alpha.annotation.AlphaParameter;
import termo.equations.Eqn101VaporPressure;
import termo.equations.Eqn10VaporPressure;
import termo.equations.EqnVaporPressure;
/**
*
* @author Hugo Redon Rivera
*/
@Entity
public class Compound implements Serializable {
@Id
@GeneratedValue(strategy = GenerationType.AUTO)
private Long id;
public Compound() {
}
public Compound (String name){
this.name = name.toLowerCase();
}
@OneToMany(cascade = CascadeType.ALL,fetch = FetchType.EAGER,mappedBy = "component")
private Set experimentalLists = new HashSet();
private double molecularWeight;
private double lowerFlammabilityLimitTemperature;
private double upperFlammabilityLimitTemperature;
private double criticalCompressibilityFactor;
private double acentricFactor;
private double gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa;
private double vanDerWaalsReducedVolume;
private double vanderWaalsArea;
private double gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa;
private double radiusofGyration;
private double solubilityParameterat298_15K;
private double dipoleMoment;
private double triplePointTemperature;
private double criticalTemperature;
private double enthalpyofFormationofIdealgasat298_15Kand101325Pa;
private double absoluteEntropyofIdealGasat298_15Kand101325Pa;
private double netEnthalpyofCombustionStandardState298_15K;
private double criticalPressure;
private double normalBoilingPoint_1atm;
private double enthalpyofFusionatMeltingPoint;
private double criticalVolume;
private double enthalpyorHeatofSublimation;
private double dielectricConstant;
private double refractiveIndexat298_15K;
private double flashPoint;
private double autoIgnitionTermperature;
// private double enthalpyofFormationinStandardStateat298_15Kand101325Pa;
private double absoluteEntropyinStandardStateat298_15Kand101325Pa;
private double meltingPoint_1atm;
private double triplePointPressure;
private double upperFlammabilityLimit;
private double liquidMolarVolumeat298_15K;
private double lowerFlammabilityLimit;
@AlphaParameter(alphaName = AlphaNames.StryjekAndVera)
private double k_StryjekAndVera;
@AlphaParameter(alphaName = AlphaNames.Mathias)
private double A_Mathias;
@AlphaParameter(alphaName = AlphaNames.Twu)
private double L_Twu;
@AlphaParameter(alphaName = AlphaNames.Twu)
private double M_Twu;
@AlphaParameter(alphaName = AlphaNames.Twu)
private double N_Twu;
@AlphaParameter(alphaName = AlphaNames.Mathias_Copeman)
private double A_Mathias_Copeman;
@AlphaParameter(alphaName = AlphaNames.Mathias_Copeman)
private double B_Mathias_Copeman;
@AlphaParameter(alphaName = AlphaNames.Mathias_Copeman)
private double C_Mathias_Copeman;
private double r_UNIQUAC;
private double q_UNIQUAC;
// private double qq_UNIQUAC;
@AlphaParameter(alphaName = AlphaNames.AdachiAndLu)
private double A_AdachiAndLu;
@AlphaParameter(alphaName = AlphaNames.AdachiAndLu)
private double B_AdachiAndLu;
@AlphaParameter(alphaName = AlphaNames.Soave2)
private double A_Soave;
@AlphaParameter(alphaName = AlphaNames.Soave2)
private double B_Soave;
@AlphaParameter(alphaName = AlphaNames.MelhemEtAl)
private double A_MelhemEtAl;
@AlphaParameter(alphaName = AlphaNames.MelhemEtAl)
private double B_MelhemEtAl;
@AlphaParameter(alphaName = AlphaNames.AndroulakisEtAl)
private double A_AndroulakisEtAl;
@AlphaParameter(alphaName = AlphaNames.AndroulakisEtAl)
private double B_AndroulakisEtAl;
@AlphaParameter(alphaName = AlphaNames.AndroulakisEtAl)
private double C_AndroulakisEtAl;
@AlphaParameter(alphaName = AlphaNames.YuAndLu)
private double A_YuAndLu;
@AlphaParameter(alphaName = AlphaNames.YuAndLu)
private double B_YuAndLu;
@AlphaParameter(alphaName = AlphaNames.YuAndLu)
private double C_YuAndLu;
@Transient
private CpEquation cp;
private double A_dippr107Cp;
private double B_dippr107Cp;
private double C_dippr107Cp;
private double D_dippr107Cp;
private double E_dippr107Cp;
private double A_PolinomialCp;
private double B_PolinomialCp;
private double C_PolinomialCp;
private double D_PolinomialCp;
private double E_PolinomialCp;
private double F_PolinomialCp;
private int dipprChemID;
private String name;
private String casNumber;
private String formula;
private String smiles;
private String Structure;
private String family;
private String subFamily;
private String standardState;
public ArrayList getAlphaParametersFor(Alpha alpha){
ArrayList fields = new ArrayList();
for(Field field:getClass().getDeclaredFields()){
Class clazz = AlphaParameter.class;
Annotation annotation = field.getAnnotation(clazz);
if(annotation instanceof AlphaParameter ){
AlphaParameter alphaAnnotation = (AlphaParameter)annotation;
if(alphaAnnotation.alphaName().equals(alpha.getName()))
fields.add(field);
}
}
return fields;
}
@Override
public int hashCode() {
int hash = 7;
hash = 97 * hash + (int) (Double.doubleToLongBits(this.molecularWeight) ^ (Double.doubleToLongBits(this.molecularWeight) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.lowerFlammabilityLimitTemperature) ^ (Double.doubleToLongBits(this.lowerFlammabilityLimitTemperature) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.upperFlammabilityLimitTemperature) ^ (Double.doubleToLongBits(this.upperFlammabilityLimitTemperature) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.criticalCompressibilityFactor) ^ (Double.doubleToLongBits(this.criticalCompressibilityFactor) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.acentricFactor) ^ (Double.doubleToLongBits(this.acentricFactor) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.vanDerWaalsReducedVolume) ^ (Double.doubleToLongBits(this.vanDerWaalsReducedVolume) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.vanderWaalsArea) ^ (Double.doubleToLongBits(this.vanderWaalsArea) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.radiusofGyration) ^ (Double.doubleToLongBits(this.radiusofGyration) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.solubilityParameterat298_15K) ^ (Double.doubleToLongBits(this.solubilityParameterat298_15K) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.dipoleMoment) ^ (Double.doubleToLongBits(this.dipoleMoment) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.triplePointTemperature) ^ (Double.doubleToLongBits(this.triplePointTemperature) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.criticalTemperature) ^ (Double.doubleToLongBits(this.criticalTemperature) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.enthalpyofFormationofIdealgasat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.enthalpyofFormationofIdealgasat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.absoluteEntropyofIdealGasat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.absoluteEntropyofIdealGasat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.netEnthalpyofCombustionStandardState298_15K) ^ (Double.doubleToLongBits(this.netEnthalpyofCombustionStandardState298_15K) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.criticalPressure) ^ (Double.doubleToLongBits(this.criticalPressure) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.normalBoilingPoint_1atm) ^ (Double.doubleToLongBits(this.normalBoilingPoint_1atm) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.enthalpyofFusionatMeltingPoint) ^ (Double.doubleToLongBits(this.enthalpyofFusionatMeltingPoint) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.criticalVolume) ^ (Double.doubleToLongBits(this.criticalVolume) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.enthalpyorHeatofSublimation) ^ (Double.doubleToLongBits(this.enthalpyorHeatofSublimation) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.dielectricConstant) ^ (Double.doubleToLongBits(this.dielectricConstant) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.refractiveIndexat298_15K) ^ (Double.doubleToLongBits(this.refractiveIndexat298_15K) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.flashPoint) ^ (Double.doubleToLongBits(this.flashPoint) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.autoIgnitionTermperature) ^ (Double.doubleToLongBits(this.autoIgnitionTermperature) >>> 32));
// hash = 97 * hash + (int) (Double.doubleToLongBits(this.enthalpyofFormationinStandardStateat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.enthalpyofFormationinStandardStateat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.absoluteEntropyinStandardStateat298_15Kand101325Pa) ^ (Double.doubleToLongBits(this.absoluteEntropyinStandardStateat298_15Kand101325Pa) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.meltingPoint_1atm) ^ (Double.doubleToLongBits(this.meltingPoint_1atm) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.triplePointPressure) ^ (Double.doubleToLongBits(this.triplePointPressure) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.upperFlammabilityLimit) ^ (Double.doubleToLongBits(this.upperFlammabilityLimit) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.liquidMolarVolumeat298_15K) ^ (Double.doubleToLongBits(this.liquidMolarVolumeat298_15K) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.lowerFlammabilityLimit) ^ (Double.doubleToLongBits(this.lowerFlammabilityLimit) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.k_StryjekAndVera) ^ (Double.doubleToLongBits(this.k_StryjekAndVera) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.L_Twu) ^ (Double.doubleToLongBits(this.L_Twu) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.M_Twu) ^ (Double.doubleToLongBits(this.M_Twu) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.N_Twu) ^ (Double.doubleToLongBits(this.N_Twu) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.A_Mathias_Copeman) ^ (Double.doubleToLongBits(this.A_Mathias_Copeman) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.B_Mathias_Copeman) ^ (Double.doubleToLongBits(this.B_Mathias_Copeman) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.C_Mathias_Copeman) ^ (Double.doubleToLongBits(this.C_Mathias_Copeman) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.r_UNIQUAC) ^ (Double.doubleToLongBits(this.r_UNIQUAC) >>> 32));
hash = 97 * hash + (int) (Double.doubleToLongBits(this.q_UNIQUAC) ^ (Double.doubleToLongBits(this.q_UNIQUAC) >>> 32));
hash = 97 * hash + Objects.hashCode(this.getCp());
hash = 97 * hash + this.dipprChemID;
hash = 97 * hash + Objects.hashCode(this.name);
hash = 97 * hash + Objects.hashCode(this.casNumber);
hash = 97 * hash + Objects.hashCode(this.formula);
hash = 97 * hash + Objects.hashCode(this.smiles);
hash = 97 * hash + Objects.hashCode(this.Structure);
hash = 97 * hash + Objects.hashCode(this.family);
hash = 97 * hash + Objects.hashCode(this.subFamily);
hash = 97 * hash + Objects.hashCode(this.standardState);
return hash;
}
@Override
public boolean equals(Object obj) {
if (obj == null) {
return false;
}
if (getClass() != obj.getClass()) {
return false;
}
final Compound other = (Compound) obj;
if (Double.doubleToLongBits(this.molecularWeight) != Double.doubleToLongBits(other.molecularWeight)) {
return false;
}
if (Double.doubleToLongBits(this.lowerFlammabilityLimitTemperature) != Double.doubleToLongBits(other.lowerFlammabilityLimitTemperature)) {
return false;
}
if (Double.doubleToLongBits(this.upperFlammabilityLimitTemperature) != Double.doubleToLongBits(other.upperFlammabilityLimitTemperature)) {
return false;
}
if (Double.doubleToLongBits(this.criticalCompressibilityFactor) != Double.doubleToLongBits(other.criticalCompressibilityFactor)) {
return false;
}
if (Double.doubleToLongBits(this.acentricFactor) != Double.doubleToLongBits(other.acentricFactor)) {
return false;
}
if (Double.doubleToLongBits(this.gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa) != Double.doubleToLongBits(other.gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa)) {
return false;
}
if (Double.doubleToLongBits(this.vanDerWaalsReducedVolume) != Double.doubleToLongBits(other.vanDerWaalsReducedVolume)) {
return false;
}
if (Double.doubleToLongBits(this.vanderWaalsArea) != Double.doubleToLongBits(other.vanderWaalsArea)) {
return false;
}
if (Double.doubleToLongBits(this.gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa) != Double.doubleToLongBits(other.gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa)) {
return false;
}
if (Double.doubleToLongBits(this.radiusofGyration) != Double.doubleToLongBits(other.radiusofGyration)) {
return false;
}
if (Double.doubleToLongBits(this.solubilityParameterat298_15K) != Double.doubleToLongBits(other.solubilityParameterat298_15K)) {
return false;
}
if (Double.doubleToLongBits(this.dipoleMoment) != Double.doubleToLongBits(other.dipoleMoment)) {
return false;
}
if (Double.doubleToLongBits(this.triplePointTemperature) != Double.doubleToLongBits(other.triplePointTemperature)) {
return false;
}
if (Double.doubleToLongBits(this.criticalTemperature) != Double.doubleToLongBits(other.criticalTemperature)) {
return false;
}
if (Double.doubleToLongBits(this.enthalpyofFormationofIdealgasat298_15Kand101325Pa) != Double.doubleToLongBits(other.enthalpyofFormationofIdealgasat298_15Kand101325Pa)) {
return false;
}
if (Double.doubleToLongBits(this.absoluteEntropyofIdealGasat298_15Kand101325Pa) != Double.doubleToLongBits(other.absoluteEntropyofIdealGasat298_15Kand101325Pa)) {
return false;
}
if (Double.doubleToLongBits(this.netEnthalpyofCombustionStandardState298_15K) != Double.doubleToLongBits(other.netEnthalpyofCombustionStandardState298_15K)) {
return false;
}
if (Double.doubleToLongBits(this.criticalPressure) != Double.doubleToLongBits(other.criticalPressure)) {
return false;
}
if (Double.doubleToLongBits(this.normalBoilingPoint_1atm) != Double.doubleToLongBits(other.normalBoilingPoint_1atm)) {
return false;
}
if (Double.doubleToLongBits(this.enthalpyofFusionatMeltingPoint) != Double.doubleToLongBits(other.enthalpyofFusionatMeltingPoint)) {
return false;
}
if (Double.doubleToLongBits(this.criticalVolume) != Double.doubleToLongBits(other.criticalVolume)) {
return false;
}
if (Double.doubleToLongBits(this.enthalpyorHeatofSublimation) != Double.doubleToLongBits(other.enthalpyorHeatofSublimation)) {
return false;
}
if (Double.doubleToLongBits(this.dielectricConstant) != Double.doubleToLongBits(other.dielectricConstant)) {
return false;
}
if (Double.doubleToLongBits(this.refractiveIndexat298_15K) != Double.doubleToLongBits(other.refractiveIndexat298_15K)) {
return false;
}
if (Double.doubleToLongBits(this.flashPoint) != Double.doubleToLongBits(other.flashPoint)) {
return false;
}
if (Double.doubleToLongBits(this.autoIgnitionTermperature) != Double.doubleToLongBits(other.autoIgnitionTermperature)) {
return false;
}
// if (Double.doubleToLongBits(this.enthalpyofFormationinStandardStateat298_15Kand101325Pa) != Double.doubleToLongBits(other.enthalpyofFormationinStandardStateat298_15Kand101325Pa)) {
// return false;
// }
if (Double.doubleToLongBits(this.absoluteEntropyinStandardStateat298_15Kand101325Pa) != Double.doubleToLongBits(other.absoluteEntropyinStandardStateat298_15Kand101325Pa)) {
return false;
}
if (Double.doubleToLongBits(this.meltingPoint_1atm) != Double.doubleToLongBits(other.meltingPoint_1atm)) {
return false;
}
if (Double.doubleToLongBits(this.triplePointPressure) != Double.doubleToLongBits(other.triplePointPressure)) {
return false;
}
if (Double.doubleToLongBits(this.upperFlammabilityLimit) != Double.doubleToLongBits(other.upperFlammabilityLimit)) {
return false;
}
if (Double.doubleToLongBits(this.liquidMolarVolumeat298_15K) != Double.doubleToLongBits(other.liquidMolarVolumeat298_15K)) {
return false;
}
if (Double.doubleToLongBits(this.lowerFlammabilityLimit) != Double.doubleToLongBits(other.lowerFlammabilityLimit)) {
return false;
}
if (Double.doubleToLongBits(this.k_StryjekAndVera) != Double.doubleToLongBits(other.k_StryjekAndVera)) {
return false;
}
if (Double.doubleToLongBits(this.L_Twu) != Double.doubleToLongBits(other.L_Twu)) {
return false;
}
if (Double.doubleToLongBits(this.M_Twu) != Double.doubleToLongBits(other.M_Twu)) {
return false;
}
if (Double.doubleToLongBits(this.N_Twu) != Double.doubleToLongBits(other.N_Twu)) {
return false;
}
if (Double.doubleToLongBits(this.A_Mathias_Copeman) != Double.doubleToLongBits(other.A_Mathias_Copeman)) {
return false;
}
if (Double.doubleToLongBits(this.B_Mathias_Copeman) != Double.doubleToLongBits(other.B_Mathias_Copeman)) {
return false;
}
if (Double.doubleToLongBits(this.C_Mathias_Copeman) != Double.doubleToLongBits(other.C_Mathias_Copeman)) {
return false;
}
if (Double.doubleToLongBits(this.r_UNIQUAC) != Double.doubleToLongBits(other.r_UNIQUAC)) {
return false;
}
if (Double.doubleToLongBits(this.q_UNIQUAC) != Double.doubleToLongBits(other.q_UNIQUAC)) {
return false;
}
if (!Objects.equals(this.cp, other.cp)) {
return false;
}
if (this.dipprChemID != other.dipprChemID) {
return false;
}
if (!Objects.equals(this.name, other.name)) {
return false;
}
if (!Objects.equals(this.casNumber, other.casNumber)) {
return false;
}
if (!Objects.equals(this.formula, other.formula)) {
return false;
}
if (!Objects.equals(this.smiles, other.smiles)) {
return false;
}
if (!Objects.equals(this.Structure, other.Structure)) {
return false;
}
if (!Objects.equals(this.family, other.family)) {
return false;
}
if (!Objects.equals(this.subFamily, other.subFamily)) {
return false;
}
if (!Objects.equals(this.standardState, other.standardState)) {
return false;
}
return true;
}
@Override
public String toString(){
return name;
}
/**
* @return the Molecular Weight [kg/kmol]
*/
public double getMolecularWeight() {
return molecularWeight;
}
/**
* @param molecularWeight the Molecular Weight to set in [kg/kmol]
*/
public void setMolecularWeight(double molecularWeight) {
this.molecularWeight = molecularWeight;
}
/**
* @return the Lower Flammability Limit Temperature [K]
*/
public double getLowerFlammabilityLimitTemperature() {
return lowerFlammabilityLimitTemperature;
}
/**
* @param lowerFlammabilityLimitTemperature the Lower Flammability Limit Temperature to set in [K]
*/
public void setLowerFlammabilityLimitTemperature(double lowerFlammabilityLimitTemperature) {
this.lowerFlammabilityLimitTemperature = lowerFlammabilityLimitTemperature;
}
/**
* @return the Upper Flammability Limit Temperature [K]
*/
public double getUpperFlammabilityLimitTemperature() {
return upperFlammabilityLimitTemperature;
}
/**
* @param upperFlammabilityLimitTemperature the Upper Flammability Limit Temperature to set in [K]
*/
public void setUpperFlammabilityLimitTemperature(double upperFlammabilityLimitTemperature) {
this.upperFlammabilityLimitTemperature = upperFlammabilityLimitTemperature;
}
/**
* @return the Critical Compressibility Factor
*/
public double getCriticalCompressibilityFactor() {
return criticalCompressibilityFactor;
}
/**
* @param criticalCompressibilityFactor the Critical Compressibility Factor to set
*/
public void setCriticalCompressibilityFactor(double criticalCompressibilityFactor) {
this.criticalCompressibilityFactor = criticalCompressibilityFactor;
}
/**
* @return the Acentric Factor
*/
public double getAcentricFactor() {
return acentricFactor;
}
/**
* @param acentricFactor the Acentric Factor to set
*/
public void setAcentricFactor(double acentricFactor) {
this.acentricFactor = acentricFactor;
}
/**
* @return the Gibbs Energy of Formation of Ideal Gas at 298.15[K] and 101325 [Pa] in [J/kmol]
*/
public double getGibbsEnergyofFormationofIdealGasat298_15Kand101325Pa() {
return gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa;
}
/**
* @param gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa the Gibbs Energy of Formation of Ideal Gas at 298.15 [K] and 101325 [Pa] to set in [J/kmol]
*/
public void setGibbsEnergyofFormationofIdealGasat298_15Kand101325Pa(double gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa) {
this.gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa = gibbsEnergyofFormationofIdealGasat298_15Kand101325Pa;
}
/**
* @return the van der Waals Reduced Volume in [m^3/kmol]
*/
public double getVanDerWaalsReducedVolume() {
return vanDerWaalsReducedVolume;
}
/**
* @param vanDerWaalsReducedVolume the van der Waals Reduced Volume to set in [m^3/kmol]
*/
public void setVanDerWaalsReducedVolume(double vanDerWaalsReducedVolume) {
this.vanDerWaalsReducedVolume = vanDerWaalsReducedVolume;
}
/**
* @return the van der WaalsArea in [m^2/kmol]
*/
public double getVanderWaalsArea() {
return vanderWaalsArea;
}
/**
* @param vanderWaalsArea the van der Waals Area to set in [m^2/kmol]
*/
public void setVanderWaalsArea(double vanderWaalsArea) {
this.vanderWaalsArea = vanderWaalsArea;
}
/**
* @return the gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa
*/
public double getGibbsEnergyofFormationinStandardStateat298_15Kand101325Pa() {
return gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa;
}
/**
* @param gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa the gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa to set
*/
public void setGibbsEnergyofFormationinStandardStateat298_15Kand101325Pa(double gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa) {
this.gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa = gibbsEnergyofFormationinStandardStateat298_15Kand101325Pa;
}
/**
* @return the radiusofGyration
*/
public double getRadiusofGyration() {
return radiusofGyration;
}
/**
* @param radiusofGyration the radiusofGyration to set
*/
public void setRadiusofGyration(double radiusofGyration) {
this.radiusofGyration = radiusofGyration;
}
/**
* @return the solubilityParameterat298_15K
*/
public double getSolubilityParameterat298_15K() {
return solubilityParameterat298_15K;
}
/**
* @param solubilityParameterat298_15K the solubilityParameterat298_15K to set
*/
public void setSolubilityParameterat298_15K(double solubilityParameterat298_15K) {
this.solubilityParameterat298_15K = solubilityParameterat298_15K;
}
/**
* @return the dipoleMoment
*/
public double getDipoleMoment() {
return dipoleMoment;
}
/**
* @param dipoleMoment the dipoleMoment to set
*/
public void setDipoleMoment(double dipoleMoment) {
this.dipoleMoment = dipoleMoment;
}
/**
* @return the triplePointTemperature
*/
public double getTriplePointTemperature() {
return triplePointTemperature;
}
/**
* @param triplePointTemperature the triplePointTemperature to set
*/
public void setTriplePointTemperature(double triplePointTemperature) {
this.triplePointTemperature = triplePointTemperature;
}
/**
* @return the criticalTemperature
*/
public double getCriticalTemperature() {
return criticalTemperature;
}
/**
* @param criticalTemperature the criticalTemperature to set
*/
public void setCriticalTemperature(double criticalTemperature) {
this.criticalTemperature = criticalTemperature;
}
/**
* @return the enthalpyofFormationofIdealgasat298_15Kand101325Pa
*/
public double getEnthalpyofFormationofIdealgasat298_15Kand101325Pa() {
return enthalpyofFormationofIdealgasat298_15Kand101325Pa;
}
/**
* @param enthalpyofFormationofIdealgasat298_15Kand101325Pa the enthalpyofFormationofIdealgasat298_15Kand101325Pa to set
*/
public void setEnthalpyofFormationofIdealgasat298_15Kand101325Pa(double enthalpyofFormationofIdealgasat298_15Kand101325Pa) {
this.enthalpyofFormationofIdealgasat298_15Kand101325Pa = enthalpyofFormationofIdealgasat298_15Kand101325Pa;
}
/**
* @return the absoluteEntropyofIdealGasat298_15Kand101325Pa
*/
public double getAbsoluteEntropyofIdealGasat298_15Kand101325Pa() {
return absoluteEntropyofIdealGasat298_15Kand101325Pa;
}
/**
* @param absoluteEntropyofIdealGasat298_15Kand101325Pa the absoluteEntropyofIdealGasat298_15Kand101325Pa to set
*/
public void setAbsoluteEntropyofIdealGasat298_15Kand101325Pa(double absoluteEntropyofIdealGasat298_15Kand101325Pa) {
this.absoluteEntropyofIdealGasat298_15Kand101325Pa = absoluteEntropyofIdealGasat298_15Kand101325Pa;
}
/**
* @return the netEnthalpyofCombustionStandardState298_15K
*/
public double getNetEnthalpyofCombustionStandardState298_15K() {
return netEnthalpyofCombustionStandardState298_15K;
}
/**
* @param netEnthalpyofCombustionStandardState298_15K the netEnthalpyofCombustionStandardState298_15K to set
*/
public void setNetEnthalpyofCombustionStandardState298_15K(double netEnthalpyofCombustionStandardState298_15K) {
this.netEnthalpyofCombustionStandardState298_15K = netEnthalpyofCombustionStandardState298_15K;
}
/**
* @return the critical Pressure in [Pa]
*/
public double getCriticalPressure() {
return criticalPressure;
}
/**
* @param criticalPressure the critical Pressure [Pa] to set
*/
public void setCriticalPressure(double criticalPressure) {
this.criticalPressure = criticalPressure;
}
/**
* @return the normalBoilingPoint_1atm
*/
public double getNormalBoilingPoint_1atm() {
return normalBoilingPoint_1atm;
}
/**
* @param normalBoilingPoint_1atm the normalBoilingPoint_1atm to set
*/
public void setNormalBoilingPoint_1atm(double normalBoilingPoint_1atm) {
this.normalBoilingPoint_1atm = normalBoilingPoint_1atm;
}
/**
* @return the enthalpyofFusionatMeltingPoint
*/
public double getEnthalpyofFusionatMeltingPoint() {
return enthalpyofFusionatMeltingPoint;
}
/**
* @param enthalpyofFusionatMeltingPoint the enthalpyofFusionatMeltingPoint to set
*/
public void setEnthalpyofFusionatMeltingPoint(double enthalpyofFusionatMeltingPoint) {
this.enthalpyofFusionatMeltingPoint = enthalpyofFusionatMeltingPoint;
}
/**
* @return the criticalVolume
*/
public double getCriticalVolume() {
return criticalVolume;
}
/**
* @param criticalVolume the criticalVolume to set
*/
public void setCriticalVolume(double criticalVolume) {
this.criticalVolume = criticalVolume;
}
/**
* @return the enthalpyorHeatofSublimation
*/
public double getEnthalpyorHeatofSublimation() {
return enthalpyorHeatofSublimation;
}
/**
* @param enthalpyorHeatofSublimation the enthalpyorHeatofSublimation to set
*/
public void setEnthalpyorHeatofSublimation(double enthalpyorHeatofSublimation) {
this.enthalpyorHeatofSublimation = enthalpyorHeatofSublimation;
}
/**
* @return the dielectricConstant
*/
public double getDielectricConstant() {
return dielectricConstant;
}
/**
* @param dielectricConstant the dielectricConstant to set
*/
public void setDielectricConstant(double dielectricConstant) {
this.dielectricConstant = dielectricConstant;
}
/**
* @return the refractiveIndexat298_15K
*/
public double getRefractiveIndexat298_15K() {
return refractiveIndexat298_15K;
}
/**
* @param refractiveIndexat298_15K the refractiveIndexat298_15K to set
*/
public void setRefractiveIndexat298_15K(double refractiveIndexat298_15K) {
this.refractiveIndexat298_15K = refractiveIndexat298_15K;
}
/**
* @return the flashPoint
*/
public double getFlashPoint() {
return flashPoint;
}
/**
* @param flashPoint the flashPoint to set
*/
public void setFlashPoint(double flashPoint) {
this.flashPoint = flashPoint;
}
/**
* @return the autoIgnitionTermperature
*/
public double getAutoIgnitionTermperature() {
return autoIgnitionTermperature;
}
/**
* @param autoIgnitionTermperature the autoIgnitionTermperature to set
*/
public void setAutoIgnitionTermperature(double autoIgnitionTermperature) {
this.autoIgnitionTermperature = autoIgnitionTermperature;
}
// /**
// * @return the enthalpyofFormationinStandardStateat298_15Kand101325Pa
// */
// public double getEnthalpyofFormationinStandardStateat298_15Kand101325Pa() {
// return enthalpyofFormationinStandardStateat298_15Kand101325Pa;
// }
// /**
// * @param enthalpyofFormationinStandardStateat298_15Kand101325Pa the enthalpyofFormationinStandardStateat298_15Kand101325Pa to set
// */
// public void setEnthalpyofFormationinStandardStateat298_15Kand101325Pa(double enthalpyofFormationinStandardStateat298_15Kand101325Pa) {
// this.enthalpyofFormationinStandardStateat298_15Kand101325Pa = enthalpyofFormationinStandardStateat298_15Kand101325Pa;
// }
/**
* @return the absoluteEntropyinStandardStateat298_15Kand101325Pa
*/
public double getAbsoluteEntropyinStandardStateat298_15Kand101325Pa() {
return absoluteEntropyinStandardStateat298_15Kand101325Pa;
}
/**
* @param absoluteEntropyinStandardStateat298_15Kand101325Pa the absoluteEntropyinStandardStateat298_15Kand101325Pa to set
*/
public void setAbsoluteEntropyinStandardStateat298_15Kand101325Pa(double absoluteEntropyinStandardStateat298_15Kand101325Pa) {
this.absoluteEntropyinStandardStateat298_15Kand101325Pa = absoluteEntropyinStandardStateat298_15Kand101325Pa;
}
/**
* @return the meltingPoint_1atm
*/
public double getMeltingPoint_1atm() {
return meltingPoint_1atm;
}
/**
* @param meltingPoint_1atm the meltingPoint_1atm to set
*/
public void setMeltingPoint_1atm(double meltingPoint_1atm) {
this.meltingPoint_1atm = meltingPoint_1atm;
}
/**
* @return the triplePointPressure
*/
public double getTriplePointPressure() {
return triplePointPressure;
}
/**
* @param triplePointPressure the triplePointPressure to set
*/
public void setTriplePointPressure(double triplePointPressure) {
this.triplePointPressure = triplePointPressure;
}
/**
* @return the upperFlammabilityLimit
*/
public double getUpperFlammabilityLimit() {
return upperFlammabilityLimit;
}
/**
* @param upperFlammabilityLimit the upperFlammabilityLimit to set
*/
public void setUpperFlammabilityLimit(double upperFlammabilityLimit) {
this.upperFlammabilityLimit = upperFlammabilityLimit;
}
/**
* @return the liquidMolarVolumeat298_15K
*/
public double getLiquidMolarVolumeat298_15K() {
return liquidMolarVolumeat298_15K;
}
/**
* @param liquidMolarVolumeat298_15K the liquidMolarVolumeat298_15K to set
*/
public void setLiquidMolarVolumeat298_15K(double liquidMolarVolumeat298_15K) {
this.liquidMolarVolumeat298_15K = liquidMolarVolumeat298_15K;
}
/**
* @return the lowerFlammabilityLimit
*/
public double getLowerFlammabilityLimit() {
return lowerFlammabilityLimit;
}
/**
* @param lowerFlammabilityLimit the lowerFlammabilityLimit to set
*/
public void setLowerFlammabilityLimit(double lowerFlammabilityLimit) {
this.lowerFlammabilityLimit = lowerFlammabilityLimit;
}
/**
* @return the prsvKappa
*/
public double getK_StryjekAndVera() {
return k_StryjekAndVera;
}
/**
* @param prsvKappa the prsvKappa to set
*/
public void setK_StryjekAndVera(double prsvKappa) {
this.k_StryjekAndVera = prsvKappa;
}
/**
* @return the dipprChemID
*/
public int getDipprChemID() {
return dipprChemID;
}
/**
* @param dipprChemID the dipprChemID to set
*/
public void setDipprChemID(int dipprChemID) {
this.dipprChemID = dipprChemID;
}
/**
* @return the name
*/
public String getName() {
return name;
}
/**
* @param name the name to set
*/
public void setName(String name) {
this.name = name.toLowerCase();
}
/**
* @return the casName
*/
public String getCasNumber() {
return casNumber;
}
/**
* @param casNumber the casNumber to set
*/
public void setCasNumber(String casNumber) {
this.casNumber = casNumber;
}
/**
* @return the formula
*/
public String getFormula() {
return formula;
}
/**
* @param formula the formula to set
*/
public void setFormula(String formula) {
this.formula = formula;
}
/**
* @return the smiles
*/
public String getSmiles() {
return smiles;
}
/**
* @param smiles the smiles to set
*/
public void setSmiles(String smiles) {
this.smiles = smiles;
}
/**
* @return the Structure
*/
public String getStructure() {
return Structure;
}
/**
* @param Structure the Structure to set
*/
public void setStructure(String Structure) {
this.Structure = Structure;
}
/**
* @return the family
*/
public String getFamily() {
return family;
}
/**
* @param family the family to set
*/
public void setFamily(String family) {
this.family = family;
}
/**
* @return the subFamily
*/
public String getSubFamily() {
return subFamily;
}
/**
* @param subFamily the subFamily to set
*/
public void setSubFamily(String subFamily) {
this.subFamily = subFamily;
}
/**
* @return the standardState
*/
public String getStandardState() {
return standardState;
}
/**
* @param standardState the standardState to set
*/
public void setStandardState(String standardState) {
this.standardState = standardState;
}
/**
* @return the L_Twu
*/
public double getL_Twu() {
return L_Twu;
}
/**
* @param L_Twu the L_Twu to set
*/
public void setL_Twu(double L_Twu) {
this.L_Twu = L_Twu;
}
/**
* @return the M_Twu
*/
public double getM_Twu() {
return M_Twu;
}
/**
* @param M_Twu the M_Twu to set
*/
public void setM_Twu(double M_Twu) {
this.M_Twu = M_Twu;
}
/**
* @return the N_Twu
*/
public double getN_Twu() {
return N_Twu;
}
/**
* @param N_Twu the N_Twu to set
*/
public void setN_Twu(double N_Twu) {
this.N_Twu = N_Twu;
}
/**
* @return the A_Mathias_Copeman
*/
public double getA_Mathias_Copeman() {
return A_Mathias_Copeman;
}
/**
* @param A_Mathias_Copeman the A_Mathias_Copeman to set
*/
public void setA_Mathias_Copeman(double A_Mathias_Copeman) {
this.A_Mathias_Copeman = A_Mathias_Copeman;
}
/**
* @return the B_Mathias_Copeman
*/
public double getB_Mathias_Copeman() {
return B_Mathias_Copeman;
}
/**
* @param B_Mathias_Copeman the B_Mathias_Copeman to set
*/
public void setB_Mathias_Copeman(double B_Mathias_Copeman) {
this.B_Mathias_Copeman = B_Mathias_Copeman;
}
/**
* @return the C_Mathias_Copeman
*/
public double getC_Mathias_Copeman() {
return C_Mathias_Copeman;
}
/**
* @param C_Mathias_Copeman the C_Mathias_Copeman to set
*/
public void setC_Mathias_Copeman(double C_Mathias_Copeman) {
this.C_Mathias_Copeman = C_Mathias_Copeman;
}
/**
* @return the r_UNIQUAC
*/
public double getR_UNIQUAC() {
return r_UNIQUAC;
}
/**
* @param r_UNIQUAC the r_UNIQUAC to set
*/
public void setR_UNIQUAC(double r_UNIQUAC) {
this.r_UNIQUAC = r_UNIQUAC;
}
/**
* @return the q_UNIQUAC
*/
public double getQ_UNIQUAC() {
return q_UNIQUAC;
}
/**
* @param q_UNIQUAC the q_UNIQUAC to set
*/
public void setQ_UNIQUAC(double q_UNIQUAC) {
this.q_UNIQUAC = q_UNIQUAC;
}
// /**
// * @return the qq_UNIQUAC
// */
// public double getQq_UNIQUAC() {
// return qq_UNIQUAC;
// }
//
// /**
// * @param qq_UNIQUAC the qq_UNIQUAC to set
// */
// public void setQq_UNIQUAC(double qq_UNIQUAC) {
// this.qq_UNIQUAC = qq_UNIQUAC;
// }
public CpEquation getCp() {
if(cp ==null){
cp = new DIPPR_107_Equation(this);
}
return cp;
}
public void setCp(CpEquation cp) {
this.cp = cp;
}
public void setA_Mathias(double srk){
this.A_Mathias = srk;
}
public double getA_Mathias() {
return this.A_Mathias;
}
/**
* @return the A_Cp
*/
public double getA_dippr107Cp() {
return A_dippr107Cp;
}
/**
* @param A_Cp the A_Cp to set
*/
public void setA_dippr107Cp(double A_Cp) {
this.A_dippr107Cp = A_Cp;
}
/**
* @return the B_Cp
*/
public double getB_dippr107Cp() {
return B_dippr107Cp;
}
/**
* @param B_Cp the B_Cp to set
*/
public void setB_dippr107Cp(double B_Cp) {
this.B_dippr107Cp = B_Cp;
}
/**
* @return the C_Cp
*/
public double getC_dippr107Cp() {
return C_dippr107Cp;
}
/**
* @param C_Cp the C_Cp to set
*/
public void setC_dippr107Cp(double C_Cp) {
this.C_dippr107Cp = C_Cp;
}
/**
* @return the D_Cp
*/
public double getD_dippr107Cp() {
return D_dippr107Cp;
}
/**
* @param D_Cp the D_Cp to set
*/
public void setD_dippr107Cp(double D_Cp) {
this.D_dippr107Cp = D_Cp;
}
/**
* @return the E_Cp
*/
public double getE_dippr107Cp() {
return E_dippr107Cp;
}
/**
* @param E_Cp the E_Cp to set
*/
public void setE_dippr107Cp(double E_Cp) {
this.E_dippr107Cp = E_Cp;
}
/**
* @return the A_PolinomialCp
*/
public double getA_PolinomialCp() {
return A_PolinomialCp;
}
/**
* @param A_PolinomialCp the A_PolinomialCp to set
*/
public void setA_PolinomialCp(double A_PolinomialCp) {
this.A_PolinomialCp = A_PolinomialCp;
}
/**
* @return the B_PolinomialCp
*/
public double getB_PolinomialCp() {
return B_PolinomialCp;
}
/**
* @param B_PolinomialCp the B_PolinomialCp to set
*/
public void setB_PolinomialCp(double B_PolinomialCp) {
this.B_PolinomialCp = B_PolinomialCp;
}
/**
* @return the C_PolinomialCp
*/
public double getC_PolinomialCp() {
return C_PolinomialCp;
}
/**
* @param C_PolinomialCp the C_PolinomialCp to set
*/
public void setC_PolinomialCp(double C_PolinomialCp) {
this.C_PolinomialCp = C_PolinomialCp;
}
/**
* @return the D_PolinomialCp
*/
public double getD_PolinomialCp() {
return D_PolinomialCp;
}
/**
* @param D_PolinomialCp the D_PolinomialCp to set
*/
public void setD_PolinomialCp(double D_PolinomialCp) {
this.D_PolinomialCp = D_PolinomialCp;
}
/**
* @return the E_PolinomialCp
*/
public double getE_PolinomialCp() {
return E_PolinomialCp;
}
/**
* @param E_PolinomialCp the E_PolinomialCp to set
*/
public void setE_PolinomialCp(double E_PolinomialCp) {
this.E_PolinomialCp = E_PolinomialCp;
}
/**
* @return the F_PolinomialCp
*/
public double getF_PolinomialCp() {
return F_PolinomialCp;
}
/**
* @param F_PolinomialCp the F_PolinomialCp to set
*/
public void setF_PolinomialCp(double F_PolinomialCp) {
this.F_PolinomialCp = F_PolinomialCp;
}
/**
* @return the A_AdachiAndLu
*/
public double getA_AdachiAndLu() {
return A_AdachiAndLu;
}
/**
* @param A_AdachiAndLu the A_AdachiAndLu to set
*/
public void setA_AdachiAndLu(double A_AdachiAndLu) {
this.A_AdachiAndLu = A_AdachiAndLu;
}
/**
* @return the B_AdachiAndLu
*/
public double getB_AdachiAndLu() {
return B_AdachiAndLu;
}
/**
* @param B_AdachiAndLu the B_AdachiAndLu to set
*/
public void setB_AdachiAndLu(double B_AdachiAndLu) {
this.B_AdachiAndLu = B_AdachiAndLu;
}
/**
* @return the A_Soave
*/
public double getA_Soave() {
return A_Soave;
}
/**
* @param A_Soave the A_Soave to set
*/
public void setA_Soave(double A_Soave) {
this.A_Soave = A_Soave;
}
/**
* @return the B_Soave
*/
public double getB_Soave() {
return B_Soave;
}
/**
* @param B_Soave the B_Soave to set
*/
public void setB_Soave(double B_Soave) {
this.B_Soave = B_Soave;
}
/**
* @return the A_MelhemEtAl
*/
public double getA_MelhemEtAl() {
return A_MelhemEtAl;
}
/**
* @param A_MelhemEtAl the A_MelhemEtAl to set
*/
public void setA_MelhemEtAl(double A_MelhemEtAl) {
this.A_MelhemEtAl = A_MelhemEtAl;
}
/**
* @return the B_MelhemEtAl
*/
public double getB_MelhemEtAl() {
return B_MelhemEtAl;
}
/**
* @param B_MelhemEtAl the B_MelhemEtAl to set
*/
public void setB_MelhemEtAl(double B_MelhemEtAl) {
this.B_MelhemEtAl = B_MelhemEtAl;
}
/**
* @return the A_AndroulakisEtAl
*/
public double getA_AndroulakisEtAl() {
return A_AndroulakisEtAl;
}
/**
* @param A_AndroulakisEtAl the A_AndroulakisEtAl to set
*/
public void setA_AndroulakisEtAl(double A_AndroulakisEtAl) {
this.A_AndroulakisEtAl = A_AndroulakisEtAl;
}
/**
* @return the B_AndroulakisEtAl
*/
public double getB_AndroulakisEtAl() {
return B_AndroulakisEtAl;
}
/**
* @param B_AndroulakisEtAl the B_AndroulakisEtAl to set
*/
public void setB_AndroulakisEtAl(double B_AndroulakisEtAl) {
this.B_AndroulakisEtAl = B_AndroulakisEtAl;
}
/**
* @return the C_AndroulakisEtAl
*/
public double getC_AndroulakisEtAl() {
return C_AndroulakisEtAl;
}
/**
* @param C_AndroulakisEtAl the C_AndroulakisEtAl to set
*/
public void setC_AndroulakisEtAl(double C_AndroulakisEtAl) {
this.C_AndroulakisEtAl = C_AndroulakisEtAl;
}
/**
* @return the A_YuAndLu
*/
public double getA_YuAndLu() {
return A_YuAndLu;
}
/**
* @param A_YuAndLu the A_YuAndLu to set
*/
public void setA_YuAndLu(double A_YuAndLu) {
this.A_YuAndLu = A_YuAndLu;
}
/**
* @return the B_YuAndLu
*/
public double getB_YuAndLu() {
return B_YuAndLu;
}
/**
* @param B_YuAndLu the B_YuAndLu to set
*/
public void setB_YuAndLu(double B_YuAndLu) {
this.B_YuAndLu = B_YuAndLu;
}
/**
* @return the C_YuAndLu
*/
public double getC_YuAndLu() {
return C_YuAndLu;
}
/**
* @param C_YuAndLu the C_YuAndLu to set
*/
public void setC_YuAndLu(double C_YuAndLu) {
this.C_YuAndLu = C_YuAndLu;
}
public Long getId() {
return id;
}
public void setId(Long id) {
this.id = id;
}
/**
* @return the experimentalLists
*/
public Set getExperimentalLists() {
return experimentalLists;
}
/**
* @param experimentalLists the experimentalLists to set
*/
public void setExperimentalLists(Set experimentalLists) {
this.experimentalLists = experimentalLists;
}
public void addExperimentalDataList(ExperimentalDataList dataList) {
if(!experimentalLists.contains(dataList)){
dataList.setComponent(this);
experimentalLists.add(dataList);
}
}
// se debe decidir en obtener una super clase o mantener las dos ecuaciones
@OneToOne(mappedBy = "component",fetch = FetchType.EAGER,cascade = CascadeType.ALL)
private Eqn101VaporPressure eqn101VaporPressure ;
@OneToOne(mappedBy = "component",cascade = CascadeType.ALL,fetch = FetchType.EAGER)
private Eqn10VaporPressure eqn10VaporPressure ;
public ExperimentalDataList getVaporPressureList(EqnVaporPressure eqn){
ExperimentalDataList list = new ExperimentalDataList();
if(eqn instanceof Eqn101VaporPressure){
list.setName("Estimados Dippr 101 ");
}else if(eqn instanceof Eqn10VaporPressure){
list.setName("Estimados ecuación 10 (Antoine)");
}
list.setSource("Datos estimados con ecuación, parametros obtenidos de Chemsep" );
double minT = eqn.getMinTemperature();
double maxT = eqn.getMaxTemperature();
Integer n = 100;
double pass = (maxT- minT)/n.doubleValue();
for (int i = 0;i < n; i++ ){
double temperature = minT + pass * i;
double vaporPressure = eqn.vaporPressure(temperature);
list.getList().add(new ExperimentalData(temperature, vaporPressure));
}
return list;
}
/**
* @return the eqn101VaporPressure
*/
public Eqn101VaporPressure getEqn101VaporPressure() {
return eqn101VaporPressure;
}
/**
* @param eqn101VaporPressure the eqn101VaporPressure to set
*/
public void setEqn101VaporPressure(Eqn101VaporPressure eqn101VaporPressure) {
this.eqn101VaporPressure = eqn101VaporPressure;
}
/**
* @return the eqn10VaporPressure
*/
public Eqn10VaporPressure getEqn10VaporPressure() {
return eqn10VaporPressure;
}
/**
* @param eqn10VaporPressure the eqn10VaporPressure to set
*/
public void setEqn10VaporPressure(Eqn10VaporPressure eqn10VaporPressure) {
this.eqn10VaporPressure = eqn10VaporPressure;
}
}
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