SYNAPSE - Chemical Product Design Software

Today’s chemical products must not only possess superior performance but also low toxicity and environmental compatibility, while being safe and highly innovative. Satisfying all these often conflicting constraints is a challenge for product designers. Synapse is a software tool which greatly assists in the design of better chemical products.

Synapse is an advanced chemical product design software tool giving you a radically new approach for designing molecules and formulations that possess desired physical properties. You first enter constraints, such as the need to form an azeotrope with water, minimum solubility limits, maximum volatility and minimum flash point. Synapse then generates thousands of candidate molecules computationally assembling each candidate’s molecular structure atom by atom. Mixture formulations are similarly generated by choosing from hundreds of possible components and enumerating thousands of compositions. Synapse finally estimates the physical properties of each of these candidates and evaluates each design constraint identifying those candidates which satisfy all design constraints.

For more details, please read through our Synapse brochure , view our YouTube videos and, most importantly, experiment with the Synapse demonstration version.

Design Constraints - Properties and Structures

The goal of a chemical product design is to create a molecular structure or mixture formulation that possesses a desired set of chemical and physical properties. Thus the first step of any design involves identifying design constraints.

Synapse represents chemical constraints as limits on substructures. For example, many chemical products should be stable at ambient temperatures. Thus, we often use a maximum limit of zero on unstable substructure such as:

-O-O- >N-O- -O-CO-O- >N-N< -CO-O-CO-

Synapse will eliminate any candidate structure that does not satisfy a structural constraint.

Design constraints are represented as ranges on physical properties. For example, the image to the left shows two design constraints:

353.15 K < boiling point < 393.15

800.0 kg/m3 < liquid density at 323.15 K < 1200.0 kg/m3

Generating Chemical Candidates

Synapse designs chemicals by assembling design groups into new molecular structures. Any set of groups can be used for a design. The selection of groups for new molecular structures can be guided by the user in a graphical design or automatically guided by the computer in a combinatorial design.

The image to the right shows that each design group has a set of limits imposed on its occurrence in new molecular structures. For example, every new molecular structure must contain at least two fluorine groups but no more than five fluorine groups.

In addition to limits on the occurrence of each design group in new molecular structures, each design must also contain limits on the total number of groups and total number of rings in new molecular structures. In the example shown in the image to the right, all newly designed molecular structures must contain between 4 and 8 groups and no rings.

Graphical Chemical Design

Synapse’s graphical chemical design capabilities gives you complete control over the search for new chemical products. To design new chemicals you to simply draw candidate molecular structures. Synapse then estimates required physical properties, evaluates design constraints and presents the results graphically. Using Synapse’s graphical design you can investigate the effect of changing your current product’s structure or composition, identify conflicting design constraints and discover relationships between molecular structure and physical properties.

For example, you could use Synapse to design new chemicals based similar to ethyl levulinate that have applications as fragrance chemicals:

  • you first enter constraints based on ethyl levulinate's physical properties
  • you then draw ethyl levulinate's structure into the graphical design's edit control
  • you then proceed to make structural modifications to the structure with the goal of satisfying the entered constraints
Combinatorial Chemical Design

Synapse’s combinatorial chemical design capabilities enable you to automatically search through thousands of candidate molecular structures finding those that satisfy your design constraints. Synapse assembles each of candidate structure by connecting design groups in all possible combinations. Each candidate structure is examined to ensure it satisfies all substructure limit constraints. The physical properties of remaining candidates are estimated and used to evaluate the physical property design constraints.

A combinatorial chemical design is a powerful tool for exploring the space of possible chemical products. Because chemical designs are based on groups, you can add any group you wish to a design. For example, if you were looking into chemicals derived from levulinic acid you would create the group:

Synapse would then design candidate molecular structures by substituting design groups, in all possible combinations, for the free atoms (the [*] atoms).

Mixture Design

Synapse's mixture designs are based on groups of ingredient chemicals called categories. A category represents a general set of chemicals. For example, an aircraft deicing fluid could have five categories: 1) water; 2) freezing point depressant; 3) surfactant; 4) thickener; 5) dye. The water category would contain a single chemical, i.e., water. The freezing point depressant category could contain several chemicals, e.g., 1,2-propylene glycol, 1-3 propylene glycol, ethanol, diethylene glycol, etc.

Synapse assembles mixtures from combinations of category chemicals. Each combination of chemicals is then assigned a composition using the input composition limits. The physical properties of this final mixture candidate are then estimated and used to evaluate each physical property design constraint.

For example, DMSO is a good solvent for many applications. Unfortunately, DMSO's high melting point of 18.52C can sometimes result in the freezing of stored material. Adding a freezing point depressing additive solvent can significantly lower the freezing point.

Designing such low freezing point mixtures in Synapse begins by creating two ingredient categories, a DMSO category and an additive category. The DMSO category contains only one chemical, i.e., DMSO. The additive category contains several common solvents. The image to the left shows the solid-liquid equilibrium curves for some of the designed candidates.

Estimated Physical Properties
Some of the Physical Properties Estimated by Cranium
Acentric Factor Activity Coefficient Aquatic Toxicity Autoignition Temperature Boiling Point
Bubble Point Critical Pressure Critical Temperature Critical Volume Densities
Diffusion Coefficients Dew Point Enthalpy of Formation Enthalpy of Fusion Enthalpy of Vaporization
Flash Point Freezing Point Fugacity Coefficient Gibbs Energy of Formation Heat Capacities
Henry's Constant Lower Flammability Limit Melting Point Molecular Weight Octanol-Water Partition
Refractive Index Relative Permittivity Solubility Parameter Speed of Sound Surface Tension
Thermal Conductivities Upper Flammability Limit Vapor Pressure Viscosities Water Solubility
Estimation Techniques

We are continually evaluating and adding new estimation techniques:

  • we first compile the data needed to evaluate a new technique
  • we code the technique into a knowledge base document using Cranium's simple input language
  • we use the analysis tools within Cranium to determine the applicability and accuracy of the technique
  • we finally post the updated knowledge base on our website where our users can download the new data and new technique
PropertyEstimation Technique
Acentric FactorAcF: Definition [MKS]
Acentric FactorAcF: Lee + Kesler Relation [MKS]
Activity Coefficient, LLE - f(T,P,X)ActC,LLE (T,P,X): UNIFAC Method [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): DECHEMA, Margules - 500 mmHg [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Holmes + van Winkle, Margules - 500 mmHg [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Holmes + van Winkle, Margules - 760 mmHg [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Holmes + van Winkle, van Laar - 500 mmHg [MKS 01]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Holmes + van Winkle, van Laar - 760 mmHg [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Holmes + van Winkle, Wilson - 760 mmHg [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): Modified UNIFAC (Dortmund) Method [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): MOSCED [MKS]
Activity Coefficient, VLE - f(T,P,X)ActC,VLE (T,P,X): UNIFAC Method [MKS]
Autoignition TemperatureAIT: Chen + Liaw + Kuo Method [MKS]
Boiling PointTb: Antoine Equation - PGL 2001 [MKS]
Boiling PointTb: Joback Method [MKS]
Boiling PointTb: Stein + Brown Method [MKS]
Boiling Point - f(X)Tb (X): Gamma-Ideal Method [MKS]
Critical CompressibilityZc: Definition [MKS]
Critical PressurePc: Joback Method [MKS]
Critical PressurePc: Lydersen Method [MKS]
Critical PressurePc: Myers + Danner Technique [MKS]
Critical PressurePc: Vapor Pressure Extrapolation [MKS]
Critical PressurePc: Wilson + Jasperson Method [MKS]
Critical Pressure - f(X)Pc (X): Chueh + Prausnitz Method [MKS]
Critical Pressure - f(X)Pc (X): Kreglewski + Kay Method [MKS]
Critical TemperatureTc: Fedors Technique [MKS]
Critical TemperatureTc: Joback Method [MKS]
Critical TemperatureTc: Klincewicz Method [MKS]
Critical TemperatureTc: Lydersen Method [MKS]
Critical TemperatureTc: Myers + Danner Technique [MKS]
Critical TemperatureTc: Tu Method [MKS]
Critical TemperatureTc: Wilson + Jasperson Method - First Order [MKS]
Critical Temperature - f(X)Tc (X): Chueh + Prausnitz Method [MKS]
Critical Temperature - f(X)Tc (X): Li Technique [MKS]
Critical VolumeVc: Ambrose Method [MKS]
Critical VolumeVc: Joback Method [MKS]
Critical VolumeVc: Lydersen Method [MKS]
Critical Volume - f(X)Vc (X): Chueh + Prausnitz Method [MKS]
Critical Volume - f(X)Vc (X): Li + Kiran + Lydersen Method [MKS]
Density, Liquid - f(T)Den,l (T): Bhirud Technique [MKS]
Density, Liquid - f(T)Den,l (T): Dippr Equation 105 [MKS]
Density, Liquid - f(T)Den,l (T): GCVol Method [MKS]
Density, Liquid - f(T)Den,l (T): Hankinson + Thomson [MKS]
Density, Liquid - f(T)Den,l (T): IAPWS Formula 1995 [MKS]
Density, Liquid - f(T)Den,l (T): Modified Rackett Equation [MKS]
Density, Liquid - f(T)Den,l (T): Peng + Robinson EOS [MKS]
Density, Liquid - f(T)Den,l (T): Rackett Equation [MKS]
Density, Liquid - f(T)Den,l (T): Redlich + Kwong EOS [MKS]
Density, Liquid - f(T)Den,l (T): Soave + Redlich + Kwong EOS [MKS]
Density, Liquid - f(T)Den,l (T): van der Waals EOS [MKS]
Density, Liquid - f(T,P)Den,l (T,P): Peng + Robinson EOS [MKS]
Density, Liquid - f(T,P)Den,l (T,P): Redlich + Kwong EOS [MKS]
Density, Liquid - f(T,P)Den,l (T,P): Soave + Redlich + Kwong EOS [MKS]
Density, Liquid - f(T,P)Den,l (T,P): Thomas + Brobst + Hankinson Method [MKS]
Density, Liquid - f(T,P)Den,l (T,P): van der Waals EOS [MKS]
Density, Liquid - f(T,P,X)Den,l (T,P,X): Peng + Robinson EOS [MKS]
Density, Liquid - f(T,P,X)Den,l (T,P,X): Soave + Redlich + Kwong EOS [MKS]
Density, Liquid - f(T,X)Den,l (T,X): Hankinson + Thomson [MKS]
Density, Liquid - f(T,X)Den,l (T,X): Spencer + Danner Method [MKS]
Density, Vapor - f(T,P)Den,v (T,P): Ideal Gas Law [MKS]
Density, Vapor - f(T,P)Den,v (T,P): Peng + Robinson EOS [MKS]
Density, Vapor - f(T,P)Den,v (T,P): Redlich + Kwong EOS [MKS]
Density, Vapor - f(T,P)Den,v (T,P): Soave + Redlich + Kwong EOS [MKS]
Density, Vapor - f(T,P)Den,v (T,P): van der Waals EOS [MKS]
Density, Vapor - f(T,P,X)Den,v (T,P,X): Peng + Robinson EOS [MKS]
Density, Vapor - f(T,P,X)Den,v (T,P,X): Soave + Redlich + Kwong EOS [MKS]
Diffusion Coefficient, Vapor - f(T,P,X)DiffC,v (T,P,X): Chapman + Enskog Method [MKS]
Enthalpy of Combustion at 298KHc,298: Enthalpy Difference Calculation [MKS]
Enthalpy of Formation, Liquid at 298KHf,l,298: Vapor Estimate Adjustment [MKS]
Enthalpy of Formation, Vapor at 298KHf,v,298: Joback Method [MKS]
Enthalpy of Fusion at TmHm,tm: Joback Method [MKS]
Enthalpy of Vaporization - f(T)Hv (T): Dippr Equation 106 [MKS]
Enthalpy of Vaporization - f(T)Hv (T): Pitzer Correlation [MKS]
Enthalpy of Vaporization - f(T)Hv (T): Tu + Liu Method [MKS]
Enthalpy of Vaporization - f(T)Hv (T): Watson Relation [MKS]
Enthalpy of Vaporization at TbHv,tb: Chen Method [MKS]
Enthalpy of Vaporization at TbHv,tb: Joback Method [MKS]
Enthalpy of Vaporization at TbHv,tb: Riedel Method [MKS]
Enthalpy of Vaporization at TbHv,tb: Vetere Method [MKS]
Enthalpy, Liquid - f(T)H,l (T): Trapezoid Integration Method [MKS]
Enthalpy, Liquid - f(T,P)H,l (T,P): Trapezoid Integration Method [MKS]
Enthalpy, Vapor - f(T)H,v (T): Trapezoid Integration Method [MKS]
Entropy, Liquid - f(T)S,l (T): Trapezoid Integration Method [MKS]
Entropy, Vapor - f(T)S,v (T): Trapezoid Integration Method [MKS]
Flammability Limit, LowerLFL: Seaton Method [MKS]
Flammability Limit, LowerLFL: Shebeko Atom Technique [MKS]
Flammability Limit, LowerLFL: Shebeko Modified Technique [MKS]
Flammability Limit, Lower - f(X)LFL (X): Le Chatelier Method [MKS]
Flammability Limit, UpperUFL: High + Danner Method [MKS]
Flammability Limit, UpperUFL: Seaton Method [MKS]
Flammability Limit, Upper - f(X)UFL (X): Le Chatelier Method [MKS]
Flash Point, Closed CupTf,cc: Affens Method [MKS]
Flash Point, Closed CupTf,cc: Butler + Cooke + Lukk + Jameson Method [MKS]
Flash Point, Closed CupTf,cc: Catoire + Naudet Method [MKS]
Flash Point, Closed CupTf,cc: Hshieh Organics Method [MKS]
Flash Point, Closed CupTf,cc: Patil Method [MKS]
Flash Point, Closed CupTf,cc: Satyanarayana + Kakati Method [MKS]
Flash Point, Closed Cup - f(X)Tf,cc (X): Catoire + Paulmier + Naudet Ideal Method [MKS]
Flash Point, Closed Cup - f(X)Tf,cc (X): Catoire + Paulmier + Naudet Method [MKS]
Flash Point, Closed Cup - f(X)Tf,cc (X): Liaw + Tang + Lai Method [MKS]
Fugacity Coefficient, Liquid - f(T,P)Fug,l (T,P): Peng + Robinson EOS [MKS]
Fugacity Coefficient, Liquid - f(T,P,X)Fug,l (T,P,X): Peng + Robinson EOS [MKS]
Fugacity Coefficient, Vapor - f(T,P)Fug,v (T,P): Peng + Robinson EOS [MKS]
Fugacity Coefficient, Vapor - f(T,P,X)Fug,v (T,P,X): Peng + Robinson EOS [MKS]
General CalculationGenCalc: 2-Hydroxybenzoic acid solubility at 25°C [MKS]
General CalculationGenCalc: Diffusion in Air (25C, 101kPa, cm2/sec) [MKS]
General CalculationGenCalc: Hill Cross Sectional Area - [MKS]
General CalculationGenCalc: Naphthalene solubility at 25°C [MKS]
General CalculationGenCalc: Number of Oxygen Atoms [MKS]
General CalculationGenCalc: Oxygen Balance Calculation [MKS]
General CalculationGenCalc: Solubility in pyridine at 25°C [MKS]
General CalculationGenCalc: Specific Gravity at 20°C [MKS]
General Calculation - f(X)GenCalc (X): Binary Azeotrope Formed [MKS]
General Calculation - f(X)GenCalc (X): Percentage of Wetted Surface Area - [MKS]
Gibbs Energy of Formation, Vapor at 298KGf,v,298: Joback Method [MKS]
Heat Capacity - Isobaric, Liquid - f(T)Cp,l (T): Dippr Equation 100 [MKS]
Heat Capacity - Isobaric, Liquid - f(T)Cp,l (T): IUPAC Cubic Splines [MKS]
Heat Capacity - Isobaric, Liquid - f(T)Cp,l (T): Missenard Method [MKS]
Heat Capacity - Isobaric, Liquid - f(T)Cp,l (T): Poling + Prausnitz + O'Connell CSP Method [MKS]
Heat Capacity - Isobaric, Liquid - f(T,X)Cp,l (T,X): Ideal Molar Mixing Rule [MKS]
Heat Capacity - Isobaric, Liquid at 298KCp,l,298: Chickos + Acree Method [MKS]
Heat Capacity - Isobaric, Solid - f(T)Cp,s (T): Goodman + Wilding + Oscarson + Rowley Method [MKS]
Heat Capacity - Isobaric, Solid at 298KCp,s,298: Chickos + Acree Method [MKS]
Heat Capacity - Isobaric, Solid at 298KCp,s,298: Hurst + Harrison [MKS]
Heat Capacity - Isobaric, Vapor - f(T)Cp,v (T): Dippr Equation 107 [MKS]
Heat Capacity - Isobaric, Vapor - f(T)Cp,v (T): Joback Method [MKS]
Heat Capacity - Isobaric, Vapor - f(T,X)Cp,v (T,X): Ideal Molar Mixing Rule [MKS]
Heat Capacity - Isobaric, Vapor at 298KCp,v,298: Fixed Temperature Method [MKS]
Heat Capacity - Isobaric, Vapor at 298KCp,v,298: Joback Method [MKS]
Heat Capacity - Isometric, Vapor - f(T)Cv,v (T): Ideal Gas Relation [MKS]
Henry's Constant (pc) in H2O - f(T)Hpc (T): Penttilä + Dell'Era + Uusi-Kyyny + Alopaeus Method [MKS]
Henry's Constant (px) in H2O - f(T)Hpx (T): Carroll + Slupsky + Mather Method [MKS]
Henry's Constant (px) in H2O - f(T)Hpx (T): Fernández-Prini + Alvarez + Harvey Method [MKS]
LC50 96hr, Fathead MinnowLC50,96hr,FatMn: Martin + Young Method [MKS]
log(Octanol/Water Partition Coefficient)log P: Lin + Sandler Method [MKS]
Melting PointTm: Constantinou + Gani First Order Method [MKS]
Melting PointTm: Joback Method [MKS]
Molecular WeightMw: Definition [MKS]
Molecular Weight - f(X)Mw (X): Definition [MKS]
Refractive Index, Liquid at 293KRI,l: Lorentz + Lorenz Equation [MKS]
SLE, Liquidus Temperature - f(P,X)LiqPtTmp (P,X): Gamma VLE Eutectic Method [MKS]
SLE, Liquidus Temperature - f(P,X)LiqPtTmp (P,X): Ideal Eutectic Model [MKS]
Solubility Parameter, DispersiveSP,d: Stefanis + Panayiotou Method, First Order [MKS]
Solubility Parameter, Dispersive - f(X)SP,d (X): Ideal Volume Fraction Average [MKS]
Solubility Parameter, Hydrogen BondingSP,h: Stefanis + Panayiotou Method, First Order - Std [MKS]
Solubility Parameter, Hydrogen Bonding - f(X)SP,h (X): Ideal Volume Fraction Average [MKS]
Solubility Parameter, PolarSP,p: Hansen + Beerbower Method [MKS]
Solubility Parameter, PolarSP,p: Stefanis + Panayiotou Method, First Order - Std [MKS]
Solubility Parameter, Polar - f(X)SP,p (X): Ideal Volume Fraction Average [MKS]
Solubility Parameter, TotalSP,t: Definition [MKS]
Solubility Parameter, TotalSP,t: Fedors Technique [MKS]
Solubility Parameter, TotalSP,t: Three Term Definition - Data [MKS]
Solubility Parameter, TotalSP,t: Three Term Definition [MKS]
Speed of Sound, Liquid - f(T)SpSnd,l (T): Peng + Robinson EOS [MKS]
Speed of Sound, Vapor - f(T,P)SpSnd,v (T,P): Peng + Robinson EOS [MKS]
Surface Tension, Liquid - f(T)SurfTn,l (T): Brock + Bird Method [MKS]
Surface Tension, Liquid - f(T)SurfTn,l (T): Dippr Equation 106 [MKS]
Surface Tension, Liquid - f(T)SurfTn,l (T): Sastri + Rao Method [MKS]
Surface Tension, Liquid - f(T)SurfTn,l (T): Somayajulu [MKS]
Surface Tension, Liquid - f(T,X)SurfTn,l (T,X): Molar Average [MKS]
Thermal Conductivity, Liquid - f(T)ThrmCnd,l (T): Dippr Equation 100 [MKS]
Thermal Conductivity, Liquid - f(T)ThrmCnd,l (T): Mallan + Michaelian + Lockhart Method [MKS]
Thermal Conductivity, Liquid - f(T)ThrmCnd,l (T): Missenard + Riedel Method [MKS]
Thermal Conductivity, Liquid - f(T)ThrmCnd,l (T): Sastri + Rao Method [MKS]
Thermal Conductivity, Liquid - f(T)ThrmCnd,l (T): Sato + Riedel Method [MKS]
Thermal Conductivity, Liquid - f(T,X)ThrmCnd,l (T,X): Filippov Equation [MKS]
Thermal Conductivity, Liquid - f(T,X)ThrmCnd,l (T,X): Jamieson + Irving + Tudhope Correlation [MKS]
Thermal Conductivity, Liquid - f(T,X)ThrmCnd,l (T,X): Power Law Relation [MKS]
Thermal Conductivity, Vapor - f(T)ThrmCnd,v (T): Dippr Equation 102 [MKS]
Thermal Conductivity, Vapor - f(T)ThrmCnd,v (T): Eucken Correlation [MKS]
Thermal Conductivity, Vapor - f(T)ThrmCnd,v (T): Modified Eucken Correlation [MKS]
Thermal Conductivity, Vapor - f(T)ThrmCnd,v (T): Stiel + Thodos Method [MKS]
Thermal Conductivity, Vapor - f(T,P)ThrmCnd,v (T,P): Stiel + Thodos High Pressure Method [MKS]
Triple Point, PressureTrpPtPrs: Liquid Vapor Pressure Method [MKS]
Triple Point, PressureTrpPtPrs: Solid Vapor Pressure Method [MKS]
Triple Point, TemperatureTrpPtTmp: Melting Point Technique
Vapor Pressure, Liquid - f(T)Pvp,l (T): Ambrose + Walton Method [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): Antoine Equation - PGL 2001 [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): Dippr Equation 101 [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): Gómez-Nieto + Thodos Equation [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): IAPWS Formula 1995 [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): Lee + Kesler Equation [MKS]
Vapor Pressure, Liquid - f(T)Pvp,l (T): Riedel + Plank + Miller Equation [MKS]
Vapor Pressure, Solid - f(T)Pvp,s (T): Jones Method [MKS]
Viscosity, Liquid - f(T)Visc,l (T): Dippr Equation 101 [MKS]
Viscosity, Liquid - f(T)Visc,l (T): Joback Method [MKS]
Viscosity, Liquid - f(T)Visc,l (T): Orrick + Erbar Method [MKS]
Viscosity, Liquid - f(T)Visc,l (T): Przezdziecki + Sridhar Method [MKS]
Viscosity, Liquid - f(T,P)Visc,l (T,P): Lucas Method [MKS]
Viscosity, Liquid - f(T,X)Visc,l (T,X): Arrhenius Equation [MKS]
Viscosity, Liquid - f(T,X)Visc,l (T,X): Kendall + Monroe Relation [MKS]
Viscosity, Vapor - f(T)Visc,v (T): Dippr Equation 102 [MKS]
Viscosity, Vapor - f(T)Visc,v (T): Lucas Method [MKS]
Viscosity, Vapor - f(T)Visc,v (T): Reichenberg Technique [MKS]
Viscosity, Vapor - f(T)Visc,v (T): Yoon + Thodos Method [MKS]
Viscosity, Vapor - f(T,P)Visc,v (T,P): Reichenberg Method [MKS]
Viscosity, Vapor - f(T,X)Visc,v (T,X): Wilke Equation [MKS]
VLE, Bubble Pressure - f(T,X)BubPtPrs (T,X): Gamma-Ideal Method [MKS]
VLE, Bubble Pressure - f(T,X)BubPtPrs (T,X): Ideal-Ideal Method [MKS]
VLE, Bubble Pressure - f(T,X)BubPtPrs (T,X): Phi-Phi Method [MKS]
VLE, Bubble Temperature - f(P,X)BubPtTmp (P,X): Gamma-Ideal Method [MKS]
VLE, Bubble Temperature - f(P,X)BubPtTmp (P,X): Ideal-Ideal Method [MKS]
VLE, Bubble Temperature - f(P,X)BubPtTmp (P,X): Phi-Phi Method [MKS]
VLE, Dew Pressure - f(T,X)DewPtPrs (T,X): Gamma-Ideal Method [MKS]
VLE, Dew Pressure - f(T,X)DewPtPrs (T,X): Ideal-Ideal Method [MKS]
VLE, Dew Pressure - f(T,X)DewPtPrs (T,X): Phi-Phi Method [MKS]
VLE, Dew Temperature - f(P,X)DewPtTmp (P,X): Gamma-Ideal Method [MKS]
VLE, Dew Temperature - f(P,X)DewPtTmp (P,X): Ideal-Ideal Method [MKS]
VLE, Dew Temperature - f(P,X)DewPtTmp (P,X): Phi-Phi Method [MKS]
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