java.lang.Object

neqsim.thermo.util.constants.FurstElectrolyteConstants

All Implemented Interfaces:: Serializable

public final class FurstElectrolyteConstants extends Object implements Serializable

FurstElectrolyteConstants class.

Version:

$Id: $Id

Author:

esol

See Also:

Field Summary

Fields

Modifier and Type

Field

Description

static final double

EPSILON_WATER_REF

Reference dielectric constant for water at 298.15 K.

static double[]

furstParams

Constant furstParams.

static double[]

furstParamsCPA

Constant furstParamsCPA.

static double[]

furstParamsCPA_EtOH

Parameters for electrolytes in ethanol solvent.

static double[]

furstParamsCPA_MDEA

Parameters for electrolytes in MDEA (methyldiethanolamine) solvent.

static double[]

furstParamsCPA_MEA

Parameters for electrolytes in MEA (monoethanolamine) solvent.

static double[]

furstParamsCPA_MEG

Parameters for electrolytes in MEG (monoethylene glycol) solvent.

static double[]

furstParamsCPA_MeOH

Parameters for electrolytes in methanol solvent.

static double[]

furstParamsCPA_TDep

Temperature-dependent Wij parameters for electrolyte interactions.

static double[]

furstParamsCPA_TEG

Parameters for electrolytes in TEG (triethylene glycol) solvent.

static double[]

furstParamsGasIon

Parameters for gas-ion short-range interactions (salting out effect).

private static Map<String,double[]>

ionSpecificWij

Ion-specific Wij parameters for problematic electrolytes.

private static final long

serialVersionUID

Serialization version UID.
Constructor Summary

Constructors

Modifier

Constructor

Description

private

FurstElectrolyteConstants()

Dummy constructor, not for use.
Method Summary

Modifier and Type

Method

Description

static void

clearIonSpecificWij()

Clear all ion-specific Wij parameters.

static double

getFurstParam(int i)

getFurstParam.

static double

getFurstParamCPA(int i)

getFurstParamCPA.

static double

getFurstParamEtOH(int i)

Get electrolyte parameter for ethanol solvent.

static double

getFurstParamGasIon(int i)

Get gas-ion interaction parameter.

static double

getFurstParamMDEA(int i)

getFurstParamMDEA.

static double

getFurstParamMEA(int i)

Get electrolyte parameter for MEA (monoethanolamine) solvent.

static double

getFurstParamMEG(int i)

Get electrolyte parameter for MEG solvent.

static double

getFurstParamMeOH(int i)

Get electrolyte parameter for methanol solvent.

static double

getFurstParamTDep(int i)

Get temperature-dependent Wij parameter for electrolyte interactions.

static double

getFurstParamTEG(int i)

Get electrolyte parameter for TEG (triethylene glycol) solvent.

static double[]

getIonSpecificWij(String cation, String anion)

Get ion-specific Wij parameters for a cation-anion pair.

static double

getMixtureDielectricConstant(double[] moleFractions, double[] dielectricConstants)

Compute mixture dielectric constant from component contributions.

static double

getPredictiveWij(double epsilon, double stokesDiameter, boolean isDivalent)

Compute predictive Wij parameter for a cation-solvent pair based on dielectric constant.

static double

getPredictiveWijIntercept(double epsilon, boolean isDivalent)

Compute predictive Wij intercept parameter based on solvent dielectric constant.

static double

getPredictiveWijSlope(double epsilon, boolean isDivalent)

Compute predictive Wij slope parameter based on solvent dielectric constant.

static boolean

hasIonSpecificWij(String cation, String anion)

Check if ion-specific Wij parameters exist for a cation-anion pair.

private static void

initializeIonSpecificWij()

Initialize ion-specific Wij parameter map.

static void

setFurstParam(int i, double value)

setFurstParam.

static void

setFurstParamCPA(int i, double value)

setFurstParamCPA.

static void

setFurstParamEtOH(int i, double value)

Set electrolyte parameter for ethanol solvent.

static void

setFurstParamGasIon(int i, double value)

Set gas-ion interaction parameter.

static void

setFurstParamMDEA(int i, double value)

Set electrolyte parameter for MDEA solvent.

static void

setFurstParamMEA(int i, double value)

Set electrolyte parameter for MEA (monoethanolamine) solvent.

static void

setFurstParamMEG(int i, double value)

Set electrolyte parameter for MEG solvent.

static void

setFurstParamMeOH(int i, double value)

Set electrolyte parameter for methanol solvent.

static void

setFurstParams(String type)

Setter for the field furstParams.

static void

setFurstParamTDep(int i, double value)

Set temperature-dependent Wij parameter for electrolyte interactions.

static void

setFurstParamTEG(int i, double value)

Set electrolyte parameter for TEG (triethylene glycol) solvent.

static void

setIonSpecificWij(String cation, String anion, double wijCatWater, double wijCatAnion)

Set an ion-specific Wij parameter pair.

Methods inherited from class Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details
- serialVersionUID
  private static final long serialVersionUID
  
  Serialization version UID.
  
  See Also:
  
  Constant Field Values
- furstParams
  
  public static double[] furstParams
  
  Constant furstParams.
- furstParamsCPA
  public static double[] furstParamsCPA
  
  Constant furstParamsCPA.
  Parameters fitted to multi-salt osmotic coefficient and mean ionic activity coefficient data (Robinson & Stokes, 1965) at 25°C using Nelder-Mead optimization.
  
  Fitting dataset: NaCl, KCl, LiCl, NaBr, KBr, NaI, KI, NaF (1:1 halides), CaCl2, MgCl2, BaCl2, SrCl2 (2:1 chlorides). Concentration range: 0.1-6 molal.
  
  Performance (December 2024 fitting):
  
  Halides: 1-10% combined error (excellent)
  
  Divalent chlorides: 3-8% combined error (very good)
  
  Nitrates: 15-18% (limited by linear correlation)
  
  Na2SO4: ~40% (requires ion-specific parameters)
  
  Linear correlations for Wij short-range interaction parameters:
  
  Wij(cation-water) = furstParamsCPA[2] * stokesDiameter + furstParamsCPA[3]
  
  Wij(cation-anion) = furstParamsCPA[4] * (stokesDiam + paulingDiam)^4 + furstParamsCPA[5]
  
  For divalent (2+) cations:
  
  Wij(2+ cation-water) = furstParamsCPA[6] * stokesDiameter + furstParamsCPA[7]
  
  Wij(2+ cation-anion) = furstParamsCPA[8] * (stokesDiam + paulingDiam)^4 + furstParamsCPA[9]
- furstParamsCPA_MDEA
  public static double[] furstParamsCPA_MDEA
  
  Parameters for electrolytes in MDEA (methyldiethanolamine) solvent.
  MDEA has dielectric constant ~21.2 at 25°C (vs 78.4 for water). This lower dielectric significantly affects the MSA long-range term and ion solvation energies.
  
  Structure same as furstParamsCPA: [0-1] LR parameters, [2-5] SR parameters for 1+ cations, [6-9] SR parameters for 2+ cations.
  
  Parameters fitted 2024-12 for multiple ions at 20 mol% MDEA. Most salts give reasonable γ± (6/8 pass). NaBr and CaCl2 have numerical instability issues at this composition.
  
  Known limitations:
  
  Numerical instability (NaN) for NaBr and CaCl2
  
  Stability window: 15-35 mol% MDEA for most salts
- furstParamsCPA_MEG
  public static double[] furstParamsCPA_MEG
  
  Parameters for electrolytes in MEG (monoethylene glycol) solvent.
  MEG has dielectric constant 37.7 at 25°C (vs 78.4 for water). This lower dielectric significantly affects the MSA long-range term and ion solvation energies.
  
  Structure same as furstParamsCPA: [0-1] LR parameters, [2-5] SR parameters for 1+ cations, [6-9] SR parameters for 2+ cations.
  
  Parameters fitted 2024-12 for multiple ions (Na+, K+, Li+, Ca++, Mg++, Ba++) at 30 mol% MEG. Validated for Cl- and Br- salts. Gives γ± in range 0.1-6.0 for all tested salts (8/8 pass).
  
  Known limitations:
  
  Individual ion γ may vary significantly (e.g., K+ low, Na+ high) while γ± is reasonable
  
  Accuracy may degrade at very high MEG concentrations (>70 mol%)
- furstParamsCPA_MeOH
  public static double[] furstParamsCPA_MeOH
  
  Parameters for electrolytes in methanol solvent.
  Methanol has dielectric constant 32.7 at 25°C (vs 78.4 for water). Structure same as furstParamsCPA.
  
  Parameters fitted 2024-12 for multiple ions (Na+, K+, Li+, Ca++, Mg++, Ba++) at 30 mol% methanol. Validated for Cl- and Br- salts. Uses positive slope similar to MEG to balance across ion sizes.
  
  Known limitations:
  
  Individual ion γ may vary significantly while γ± is reasonable
  
  Some divalent salts may have numerical issues at high concentrations
- furstParamsCPA_EtOH
  public static double[] furstParamsCPA_EtOH
  
  Parameters for electrolytes in ethanol solvent.
  Ethanol has dielectric constant 24.5 at 25°C (vs 78.4 for water, 32.7 for methanol). Structure same as furstParamsCPA.
  
  Parameters fitted 2024-12 for multiple ions (Na+, K+, Li+, Ca++, Mg++, Ba++) at 30 mol% ethanol. Validated for Cl- and Br- salts. Uses positive slope similar to MEG to balance across ion sizes.
  
  Known limitations:
  
  Individual ion γ may vary significantly while γ± is reasonable
  
  Some divalent salts may have numerical issues at high concentrations
- furstParamsCPA_MEA
  public static double[] furstParamsCPA_MEA
  
  Parameters for electrolytes in MEA (monoethanolamine) solvent.
  MEA (H2N-CH2-CH2-OH) is a primary alkanolamine with dielectric constant ~31 at 25°C, similar to methanol (32.7). MEA is widely used in CO2 capture applications where salt precipitation and ionic equilibria are important.
  
  Structure same as furstParamsCPA: [0-1] LR parameters, [2-5] SR parameters for 1+ cations, [6-9] SR parameters for 2+ cations.
  
  Parameters fitted 2024-12 for multiple ions at 20 mol% MEA. All tested salts (8/8) give reasonable γ± in range 0.08-6.0. Larger slope needed due to MEA's low dielectric constant.
  
  Known limitations:
  
  Individual ion γ vary significantly (e.g., Na+ high, K+ low) while γ± is reasonable
  
  Negative osmotic coefficients at high MEA concentrations (physically impossible)
- furstParamsCPA_TEG
  
  public static double[] furstParamsCPA_TEG
  
  Parameters for electrolytes in TEG (triethylene glycol) solvent.
  TEG (HOCH2CH2OCH2CH2OCH2CH2OH) has dielectric constant ~23.7 at 25°C, similar to ethanol (24.5). TEG is widely used for gas dehydration where salt precipitation and ionic equilibria may be relevant.
  
  Structure same as furstParamsCPA: [0-1] LR parameters, [2-5] SR parameters for 1+ cations, [6-9] SR parameters for 2+ cations.
  
  WARNING: These are initial estimates based on water parameters. They have NOT been fitted against experimental data for TEG-water-electrolyte systems. Similar issues to MEG parameters are expected.
- furstParamsCPA_TDep
  
  public static double[] furstParamsCPA_TDep
  
  Temperature-dependent Wij parameters for electrolyte interactions.
  The full Wij(T) is: Wij(T) = wij[0] + wij[1]*(1/T - 1/298.15) + wij[2]*f(T) where f(T) = (298.15-T)/T + ln(T/298.15)
  
  wij[1] relates to the enthalpy of ion-solvent interaction (∂G/∂T) wij[2] relates to the heat capacity contribution (∂²G/∂T²)
  
  Structure: [0-1] cation-water slope/intercept for wij[1], [2-3] cation-water for wij[2], [4-5] cation-anion for wij[1], [6-7] cation-anion for wij[2], [8-11] same for divalent cations
  
  Parameters derived from temperature dependence of osmotic coefficients. Positive wij[1] means Wij increases with temperature (weaker interaction at high T). Literature: Pitzer (1991), Archer (1992) for NaCl(aq) 273-373 K.
- EPSILON_WATER_REF
  public static final double EPSILON_WATER_REF
  
  Reference dielectric constant for water at 298.15 K.
  
  See Also:
  
  Constant Field Values
- furstParamsGasIon
  
  public static double[] furstParamsGasIon
  
  Parameters for gas-ion short-range interactions (salting out effect).
  Gases like CO2 and CH4 experience a "salting out" effect in electrolyte solutions - their solubility decreases with increasing salt concentration. This is modeled through short-range Wij interactions between gas molecules and ions.
  
  The Setchenow equation gives: ln(S/S0) = -k_s * m where k_s is typically 0.1-0.12 L/mol for CO2 and 0.12-0.15 L/mol for CH4 in NaCl solutions.
  
  Structure: [0] W_CO2-cation, [1] W_CO2-anion, [2] W_CH4-cation, [3] W_CH4-anion.
  
  Calibration 2024-12: These parameters compensate for excessive salting out from the SR2 term's packing fraction derivative (FSR2eps * epsi). The positive Wij values reduce the net dFSR2dN contribution for CO2/CH4. Validation results for CO2 in NaCl at 298 K: 0.5 mol/kg: ~5%, 1.0 mol/kg: ~10%, 2.0 mol/kg: ~18%, matching k_s ~ 0.1 L/mol.
  
  Limitation: These parameters are calibrated for Na+/Cl- solutions. Other ion pairs may show different salting-out behavior due to varying implicit contributions from the FSR2eps*epsi term. For accurate predictions with ions like K+, MDEA+, HCO3-, or Ca++, ion-specific parameters should be fitted.
- ionSpecificWij
  
  private static Map<String,double[]> ionSpecificWij
  
  Ion-specific Wij parameters for problematic electrolytes.
  These parameters override the generalized linear correlations for specific ion pairs that exhibit non-standard behavior (e.g., nitrates, sulfates with certain cations).
  
  Fitted to Robinson & Stokes (1965) data where generalized correlations give >15% error.
Constructor Details
- FurstElectrolyteConstants
  
  private FurstElectrolyteConstants()
  
  Dummy constructor, not for use. Class is to be considered static.
Method Details
- setFurstParam
  
  public static void setFurstParam(int i, double value)
  
  setFurstParam.
  
  Parameters:
  
  i - a int
  
  value - a double
- getFurstParam
  
  public static double getFurstParam(int i)
  
  getFurstParam.
  
  Parameters:
  
  i - a int
  
  Returns:
  
  a double
- getFurstParamCPA
  
  public static double getFurstParamCPA(int i)
  
  getFurstParamCPA.
  
  Parameters:
  
  i - index into furstParamsCPA array
  
  Returns:
  
  the parameter value
- setFurstParamCPA
  
  public static void setFurstParamCPA(int i, double value)
  
  setFurstParamCPA.
  
  Parameters:
  
  i - index into furstParamsCPA array
  
  value - the parameter value to set
- getFurstParamMDEA
  
  public static double getFurstParamMDEA(int i)
  
  getFurstParamMDEA.
  
  Parameters:
  
  i - a int
  
  Returns:
  
  a double
- setFurstParamMDEA
  
  public static void setFurstParamMDEA(int i, double value)
  
  Set electrolyte parameter for MDEA solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MDEA array
  
  value - the parameter value to set
- getFurstParamMEG
  
  public static double getFurstParamMEG(int i)
  
  Get electrolyte parameter for MEG solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MEG array
  
  Returns:
  
  the parameter value
- setFurstParamMEG
  
  public static void setFurstParamMEG(int i, double value)
  
  Set electrolyte parameter for MEG solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MEG array
  
  value - the parameter value to set
- getFurstParamMeOH
  
  public static double getFurstParamMeOH(int i)
  
  Get electrolyte parameter for methanol solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MeOH array
  
  Returns:
  
  the parameter value
- setFurstParamMeOH
  
  public static void setFurstParamMeOH(int i, double value)
  
  Set electrolyte parameter for methanol solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MeOH array
  
  value - the parameter value to set
- getFurstParamEtOH
  
  public static double getFurstParamEtOH(int i)
  
  Get electrolyte parameter for ethanol solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_EtOH array
  
  Returns:
  
  the parameter value
- setFurstParamEtOH
  
  public static void setFurstParamEtOH(int i, double value)
  
  Set electrolyte parameter for ethanol solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_EtOH array
  
  value - the parameter value to set
- getFurstParamMEA
  
  public static double getFurstParamMEA(int i)
  
  Get electrolyte parameter for MEA (monoethanolamine) solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MEA array
  
  Returns:
  
  the parameter value
- setFurstParamMEA
  
  public static void setFurstParamMEA(int i, double value)
  
  Set electrolyte parameter for MEA (monoethanolamine) solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_MEA array
  
  value - the parameter value to set
- getFurstParamTEG
  
  public static double getFurstParamTEG(int i)
  
  Get electrolyte parameter for TEG (triethylene glycol) solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_TEG array
  
  Returns:
  
  the parameter value
- setFurstParamTEG
  
  public static void setFurstParamTEG(int i, double value)
  
  Set electrolyte parameter for TEG (triethylene glycol) solvent.
  
  Parameters:
  
  i - index into furstParamsCPA_TEG array
  
  value - the parameter value to set
- getFurstParamTDep
  public static double getFurstParamTDep(int i)
  
  Get temperature-dependent Wij parameter for electrolyte interactions.
  Index mapping for wij[1] (enthalpy term):
  
  [0-1]: 1+ cation-solvent slope, intercept
  
  [4-5]: 1+ cation-anion prefactor, intercept
  
  [8-9]: 2+ cation-solvent slope, intercept
  
  [12-13]: 2+ cation-anion prefactor, intercept
  
  Index mapping for wij[2] (heat capacity term):
  
  [2-3]: 1+ cation-solvent slope, intercept
  
  [6-7]: 1+ cation-anion prefactor, intercept
  
  [10-11]: 2+ cation-solvent slope, intercept
  
  [14-15]: 2+ cation-anion prefactor, intercept
  
  Parameters:
  
  i - index into furstParamsCPA_TDep array
  
  Returns:
  
  the parameter value
- setFurstParamTDep
  
  public static void setFurstParamTDep(int i, double value)
  
  Set temperature-dependent Wij parameter for electrolyte interactions.
  
  Parameters:
  
  i - index into furstParamsCPA_TDep array
  
  value - the parameter value to set
- setFurstParams
  
  public static void setFurstParams(String type)
  
  Setter for the field furstParams.
  
  Parameters:
  
  type - a String object
- getFurstParamGasIon
  
  public static double getFurstParamGasIon(int i)
  
  Get gas-ion interaction parameter.
  
  Parameters:
  
  i - index: 0-3=legacy fixed params, 4=CO2-ion slope, 5=CO2-ion intercept, 6=CH4-ion slope, 7=CH4-ion intercept
  
  Returns:
  
  the Wij parameter value
- setFurstParamGasIon
  
  public static void setFurstParamGasIon(int i, double value)
  
  Set gas-ion interaction parameter.
  
  Parameters:
  
  i - index: 0-3=legacy fixed params, 4=CO2-ion slope, 5=CO2-ion intercept, 6=CH4-ion slope, 7=CH4-ion intercept
  
  value - the Wij parameter value to set
- getPredictiveWijSlope
  
  public static double getPredictiveWijSlope(double epsilon, boolean isDivalent)
  
  Compute predictive Wij slope parameter based on solvent dielectric constant.
  This method provides a universal correlation for the cation-solvent Wij slope parameter based on the solvent's dielectric constant. The correlation is fitted to reproduce the behavior of water, methanol, ethanol, MEG, MEA, and MDEA at 298.15 K.
  
  The functional form is: slope = a0 + a1 * (1/epsilon - 1/epsilon_water)
  
  Parameters:
  
  epsilon - the solvent dielectric constant at the temperature of interest
  
  isDivalent - true if the cation is divalent (2+), false for monovalent (1+)
  
  Returns:
  
  the Wij slope parameter (multiplies ion Stokes diameter)
- getPredictiveWijIntercept
  
  public static double getPredictiveWijIntercept(double epsilon, boolean isDivalent)
  
  Compute predictive Wij intercept parameter based on solvent dielectric constant.
  This method provides a universal correlation for the cation-solvent Wij intercept parameter based on the solvent's dielectric constant. The correlation is fitted to reproduce the behavior of water, methanol, ethanol, MEG, MEA, and MDEA at 298.15 K.
  
  The functional form is: intercept = b0 + b1 * (1/epsilon - 1/epsilon_water)
  
  Parameters:
  
  epsilon - the solvent dielectric constant at the temperature of interest
  
  isDivalent - true if the cation is divalent (2+), false for monovalent (1+)
  
  Returns:
  
  the Wij intercept parameter
- getPredictiveWij
  
  public static double getPredictiveWij(double epsilon, double stokesDiameter, boolean isDivalent)
  
  Compute predictive Wij parameter for a cation-solvent pair based on dielectric constant.
  This is the main entry point for the predictive mixed-solvent electrolyte model. It computes the short-range Wij interaction parameter between a cation and a neutral solvent molecule using only the solvent's dielectric constant as a descriptor.
  
  W_ij = slope(epsilon) * d_cation + intercept(epsilon)
  
  For mixed solvents, compute the mixture dielectric constant first (e.g., mole-fraction weighted average), then call this method.
  
  Parameters:
  
  epsilon - the solvent (or mixture) dielectric constant
  
  stokesDiameter - the cation's Stokes diameter [m]
  
  isDivalent - true if the cation is divalent (2+)
  
  Returns:
  
  the Wij short-range interaction parameter
- getMixtureDielectricConstant
  
  public static double getMixtureDielectricConstant(double[] moleFractions, double[] dielectricConstants)
  
  Compute mixture dielectric constant from component contributions.
  Uses a simple mole-fraction weighted average for the dielectric constant. This is a reasonable approximation for polar solvent mixtures at moderate concentrations.
  
  Parameters:
  
  moleFractions - array of mole fractions for each solvent component
  
  dielectricConstants - array of dielectric constants for each solvent component
  
  Returns:
  
  the mixture dielectric constant
- getIonSpecificWij
  
  public static double[] getIonSpecificWij(String cation, String anion)
  
  Get ion-specific Wij parameters for a cation-anion pair.
  
  Parameters:
  
  cation - the cation name (e.g., "Na+")
  
  anion - the anion name (e.g., "NO3-")
  
  Returns:
  
  array {Wij_cation_water, Wij_cation_anion} or null if not specified
- hasIonSpecificWij
  
  public static boolean hasIonSpecificWij(String cation, String anion)
  
  Check if ion-specific Wij parameters exist for a cation-anion pair.
  
  Parameters:
  
  cation - the cation name
  
  anion - the anion name
  
  Returns:
  
  true if ion-specific parameters exist
- initializeIonSpecificWij
  
  private static void initializeIonSpecificWij()
  
  Initialize ion-specific Wij parameter map.
  Parameters fitted to Robinson & Stokes (1965) experimental data at 25°C.
- setIonSpecificWij
  
  public static void setIonSpecificWij(String cation, String anion, double wijCatWater, double wijCatAnion)
  
  Set an ion-specific Wij parameter pair.
  
  Parameters:
  
  cation - the cation name (e.g., "Na+")
  
  anion - the anion name (e.g., "NO3-")
  
  wijCatWater - Wij for cation-water interaction
  
  wijCatAnion - Wij for cation-anion interaction
- clearIonSpecificWij
  
  public static void clearIonSpecificWij()
  
  Clear all ion-specific Wij parameters.

Class FurstElectrolyteConstants

Field Summary

Constructor Summary

Method Summary

Methods inherited from class Object

Field Details

serialVersionUID

furstParams

furstParamsCPA

furstParamsCPA_MDEA

furstParamsCPA_MEG

furstParamsCPA_MeOH

furstParamsCPA_EtOH

furstParamsCPA_MEA

furstParamsCPA_TEG

furstParamsCPA_TDep

EPSILON_WATER_REF

furstParamsGasIon

ionSpecificWij

Constructor Details

FurstElectrolyteConstants

Method Details

setFurstParam

getFurstParam

getFurstParamCPA

setFurstParamCPA

getFurstParamMDEA

setFurstParamMDEA

getFurstParamMEG

setFurstParamMEG

getFurstParamMeOH

setFurstParamMeOH

getFurstParamEtOH

setFurstParamEtOH

getFurstParamMEA

setFurstParamMEA

getFurstParamTEG

setFurstParamTEG

getFurstParamTDep

setFurstParamTDep

setFurstParams

getFurstParamGasIon

setFurstParamGasIon

getPredictiveWijSlope

getPredictiveWijIntercept

getPredictiveWij

getMixtureDielectricConstant

getIonSpecificWij

hasIonSpecificWij

initializeIonSpecificWij

setIonSpecificWij

clearIonSpecificWij