A Benchmark Database for Mixed-Solvent Electrolyte Solutions: Consistency Analysis Using E-NRTL

scientific article published in 2022

A Comment on Guggenheim-like Hard-Core Volume Expressions

A Model for Estimating CO2Solubility in Aqueous Alkanolamines

article

A Predictive Group-Contribution Simplified PC-SAFT Equation of State: Application to Polymer Systems

A collocation method for surface tension calculations with the density gradient theory

A comment on water’s structure using monomer fraction data and theories

A comprehensive framework for surfactant selection and design for emulsion based chemical product design

article by Michele Mattei et al published January 2014 in Fluid Phase Equilibria

A density gradient theory based method for surface tension calculations

A modified free-volume-based model for predicting vapor–liquid and solid–liquid equilibria for size asymmetric systems

A molecular simulation-based method for the estimation of activity coefficients for alkane solutions

article published in 1996

A novel approach to liquid–liquid equilibrium in polymer systems with application to simplified PC-SAFT

A novel method for investigating the repulsive and attractive parts of cubic equations of state and the combining rules used with the vdW-1f theory

Absorber Model for CO2Capture by Monoethanolamine

Adhesion between coating layers based on epoxy and silicone

scientific article published on 27 September 2007

Adsorption of amylase enzyme on ultrafiltration membranes

scientific article published on 4 August 2007

Advances in thermodynamics for chemical process and product design

An Equation of State for Associating Fluids

An Explanation of the Selective Plating of Laser Machined Surfaces Using Surface Tension Components

An electrolyte CPA equation of state for mixed solvent electrolytes

An improved entropic expression for polymer solutions

An interpretation of the behavior of EoS/GE models for asymmetric systems

Analysis and application of GCPlus models for property prediction of organic chemical systems

Analysis and applications of a group contribution sPC-SAFT equation of state

article published in 2009

Application of Group Contribution Models to the Calculation of the Octanol−Water Partition Coefficient

Application of PC-SAFT to glycol containing systems – PC-SAFT towards a predictive approach

Application of Simplified PC-SAFT to Glycol Ethers

Application of a Crossover Equation of State to Describe Phase Equilibrium and Critical Properties of n-Alkanes and Methane/n-Alkane Mixtures

article by Andre P. C. M. Vinhal et al published 14 November 2017 in Journal of Chemical & Engineering Data

Application of association models to mixtures containing alkanolamines

Application of sPC-SAFT and group contribution sPC-SAFT to polymer systems—Capabilities and limitations

Application of the CPA equation of state to glycol/hydrocarbons liquid–liquid equilibria

Application of the CPA equation of state to organic acids

article

Application of the CPA equation of state to reservoir fluids in presence of water and polar chemicals

Application of the Cubic-Plus-Association (CPA) Equation of State to Complex Mixtures with Aromatic Hydrocarbons

Application of the Cubic-Plus-Association (CPA) Equation of State to Cross-Associating Systems

Application of the Cubic-Plus-Association Equation of State to Mixtures with Polar Chemicals and High Pressures

Application of the perturbed chain SAFT equation of state to complex polymer systems using simplified mixing rules

Application of the van der Waals equation of state to polymers III. Correlation and prediction of upper critical solution temperatures for polymer solutions

Application of the van der Waals equation of state to polymers IV. Correlation and prediction of lower critical solution temperatures for polymer solutions

Applications of the simplified perturbed-chain SAFT equation of state using an extended parameter table

article by Amra Tihic et al published October 2006 in Fluid Phase Equilibria

Approach Suitable for Screening Estimation Methods for Critical Properties of Heavy Compounds

Approach to Improve Speed of Sound Calculation within PC-SAFT Framework

Association theories for complex thermodynamics

Binary interaction parameters for nonpolar systems with cubic equations of state: a theoretical approach 1. CO2/hydrocarbons using SRK equation of state

Capabilities and Limitations of Predictive Engineering Theories for Multicomponent Adsorption

Capabilities and Limitations of an Association Theory for Chemicals in Liquid or Supercritical Solvents

Capabilities, limitations and challenges of a simplified PC-SAFT equation of state

Characterization Scheme for Property Prediction of Fluid Fractions Originating from Biomass

Classical and recent free-volume models for polymer solutions: A comparative evaluation

Comments on “Measurement and Modeling of the Solubility of Water in Supercritical Methane and Ethane from 310 to 477 K and Pressures from 3.4 to 110 MPa”

Comments on “Predictions of Activity Coefficients of Nearly Athermal Binary Mixtures Using Cubic Equations of State”

Comparison of Two Association Models (Elliott−Suresh−Donohue and Simplified PC-SAFT) for Complex Phase Equilibria of Hydrocarbon−Water and Amine-Containing Mixtures

Comparison of the Debye–Hückel and the Mean Spherical Approximation Theories for Electrolyte Solutions

Comparison of the SRK and CPA equations of state for physical properties of water and methanol

Computational and Physical Performance of a Modified PC-SAFT Equation of State for Highly Asymmetric and Associating Mixtures

Correlation and Prediction of Environmental Properties of Alcohol Ethoxylate Surfactants Using the UNIFAC Method

Correlation and prediction of Henry constants for liquids and gases in five industrially important polymers using a CS-type correlation based on the van der Waals equation of state. Comparison with other predictive models

article published in 1995

Critical constants and acentric factors for long-chain alkanes suitable for corresponding states applications. A critical review

article

Cubic Plus Association Equation of State for Flow Assurance Projects

Data Requirements and Modeling for Gas Hydrate-Related Mixtures and a Comparison of Two Association Models

Data and prediction of water content of high pressure nitrogen, methane and natural gas

Determination of asphaltene onset conditions using the cubic plus association equation of state

Development and analysis of the Original UNIFAC-CI model for prediction of vapor–liquid and solid–liquid equilibria

article

Dimerization of Carboxylic Acids: An Equation of State Approach.

scientific article published on 14 February 2017

Distribution of Gas Hydrate Inhibitor Monoethylene Glycol in Condensate and Water Systems: Experimental Measurement and Thermodynamic Modeling Using the Cubic-Plus-Association Equation of State

Distribution of MEG and methanol in well-defined hydrocarbon and water systems: Experimental measurement and modeling using the CPA EoS

Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

article

Equations of state: From the ideas of van der Waals to association theories

Evaluation of equations of state for simultaneous representation of phase equilibrium and critical phenomena

Evaluation of the CO2 behavior in binary mixtures with alkanes, alcohols, acids and esters using the Cubic-Plus-Association Equation of State

Evaluation of the Cubic-Plus-Association Equation of State for Ternary, Quaternary, and Multicomponent Systems in the Presence of Monoethylene Glycol

Evaluation of the Nonrandom Hydrogen Bonding (NRHB) Theory and the Simplified Perturbed-Chain-Statistical Associating Fluid Theory (sPC-SAFT). 2. Liquid−Liquid Equilibria and Prediction of Monomer Fraction in Hydrogen Bonding Systems

Evaluation of the Nonrandom Hydrogen Bonding (NRHB) Theory and the Simplified Perturbed-Chain−Statistical Associating Fluid Theory (sPC-SAFT). 1. Vapor−Liquid Equilibria

Evaluation of the Truncated Perturbed Chain-Polar Statistical Associating Fluid Theory for Complex Mixture Fluid Phase Equilibria

Experimental determination and modeling of the phase behavior for the direct synthesis of dimethyl carbonate from methanol and carbon dioxide

Experimental determination and modeling of the phase behavior for the selective oxidation of benzyl alcohol in supercritical CO2

Experimental study and phase equilibrium modeling of systems containing acid gas and glycol

Experimental validation of a rate-based model for CO2 capture using an AMP solution

Extended UNIQUAC model for thermodynamic modeling of CO2 absorption in aqueous alkanolamine solutions

Extension of the Cubic-plus-Association (CPA) Equation of State to Amines

Extensive Study of the Capabilities and Limitations of the CPA and sPC-SAFT Equations of State in Modeling a Wide Range of Acetic Acid Properties

Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

Fluid phase equilibria of the reaction mixture during the selective hydrogenation of 2-butenal in dense carbon dioxide

GC-PPC-SAFT Equation of State for VLE and LLE of Hydrocarbons and Oxygenated Compounds. Sensitivity Analysis

General Form of the Cross-Energy Parameter of Equations of State

article published in 2000

Henry constants in polymer solutions with the van der waals equation of state

scholarly article in Polymer Engineering and Science, vol. 36 no. 2, January 1996

High-pressure vapor–liquid equilibria of systems containing ethylene glycol, water and methane

Hydrate Equilibrium Data for CO2+N2 System in the Presence of Tetra-n-butylammonium Fluoride (TBAF) and Mixture of TBAF and Cyclopentane (CP)

Hydrate equilibrium data for the CO2 + N2 system with the use of tetra-n-butylammonium bromide (TBAB), cyclopentane (CP) and their mixture

Improved models for the prediction of activity coefficients in nearly athermal mixtures

Improved models for the prediction of activity coefficients in nearly athermal mixtures Part II. A theoretically-based GE-model based on the van der Waals partition function

article published in 1997

Improving GC-PPC-SAFT equation of state for LLE of hydrocarbons and oxygenated compounds with water

Industrial Requirements for Thermodynamics and Transport Properties

Intramolecular association within the SAFT framework

Introduction to Applied Colloid and Surface Chemistry

Investigating Models for Associating Fluids Using Spectroscopy

Investigation of the Gas Injection Effect on Asphaltene Onset Precipitation Using the Cubic-Plus-Association Equation of State

Juan H. Vera and Grazyna Wilczek-Vera: Classical Thermodynamics of Fluid Systems: Principles and Applications

Liquid–liquid equilibria for reservoir fluids+monoethylene glycol and reservoir fluids+monoethylene glycol+water: Experimental measurements and modeling using the CPA EoS

Liquid−Liquid Equilibria for Binary and Ternary Polymer Solutions with PC-SAFT

Liquid−Liquid Equilibria for Glycols + Hydrocarbons:  Data and Correlation

Measurement and modelling of hydrogen bonding in 1-alkanol+n-alkane binary mixtures

Measurement of Liquid–Liquid Equilibria for Condensate + Glycol and Condensate + Glycol + Water Systems

Measurement of vapor–liquid–liquid phase equilibrium—Equipment and results

Method for Estimating Critical Properties of Heavy Compounds Suitable for Cubic Equations of State and Its Application to the Prediction of Vapor Pressures

article

Miscibility of polymer blends with engineering models

Modeling MEA with the CPA equation of state: A parameter estimation study adding local search to PSO algorithm

Modeling Phase Equilibria for Acid Gas Mixtures using the Cubic-Plus-Association Equation of State. 3. Applications Relevant to Liquid or Supercritical CO2 Transport

Modeling Systems Containing Alkanolamines with the CPA Equation of State

Modeling Water Containing Systems with the Simplified PC-SAFT and CPA Equations of State

Modeling Water Saturation Points in Natural Gas Streams Containing CO2 and H2S—Comparisons with Different Equations of State

Modeling derivative properties and binary mixtures with CO2 using the CPA and the quadrupolar CPA equations of state

Modeling of Asphaltene Onset Precipitation Conditions with Cubic Plus Association (CPA) and Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) Equations of State

Modeling of Asphaltene Precipitation from Crude Oil with the Cubic Plus Association Equation of State

Modeling of CO2 absorber using an AMP solution

Modeling of dielectric properties of aqueous salt solutions with an equation of state

scientific article published on 27 August 2013

Modeling of dielectric properties of complex fluids with an equation of state

scientific article published on 18 March 2013

Modeling of phase equilibria with CPA using the homomorph approach

article published in 2011

Modeling of phase equilibrium of North Sea oils with water and MEG

Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State

Modeling of the migration of glycerol monoester plasticizers in highly plasticized poly(vinyl chloride)

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. I. Mixtures with H2S

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part IV. Applications to mixtures of CO2 with alkanes

Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters

Modeling systems relevant to the biodiesel production using the CPA equation of state

article published in 2016

Modeling the Liquid−Liquid Equilibria of Water + Fluorocarbons with the Cubic-Plus-Association Equation of State

Modeling the liquid–liquid equilibrium of petroleum fluid and polar compounds containing systems with the PC-SAFT equation of state

Modeling the phase behavior in mixtures of pharmaceuticals with liquid or supercritical solvents.

scientific article published in May 2009

Modeling the solid-liquid equilibrium in pharmaceutical-solvent mixtures: Systems with complex hydrogen bonding behavior

Modeling the vapor–liquid equilibria of polymer–solvent mixtures: Systems with complex hydrogen bonding behavior

Modeling vapor–liquid interfaces with the gradient theory in combination with the CPA equation of state

Modelling of associating mixtures for applications in the oil & gas and chemical industries

Modelling of phase equilibria of glycol ethers mixtures using an association model

Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part V: Multicomponent mixtures containing CO2 and alcohols

article published in 2015

Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO 2 transport applications

Modelling the phase equilibria of multicomponent mixtures containing CO2, alkanes, water, and/or alcohols using the quadrupolar CPA equation of state

Multicomponent Adsorption Model for Polar and Associating Mixtures

Mutual solubility of MEG, water and reservoir fluid: Experimental measurements and modeling using the CPA equation of state

New Variant of the Universal Constants in the Perturbed Chain-Statistical Associating Fluid Theory Equation of State

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

On petroleum fluid characterization with the PC-SAFT equation of state

On the estimation of water pure compound parameters in association theories

On the predictive capabilities of CPA for applications in the chemical industry: Multicomponent mixtures containing methyl-methacrylate, dimethyl-ether or acetic acid

Partition coefficients of organic molecules in squalane and water/ethanol mixtures by molecular dynamics simulations

Phase Equilibria of Mixtures Containing Glycol andn-Alkane: Experimental Study of Infinite Dilution Activity Coefficients and Modeling Using the Cubic-Plus-Association Equation of State

Phase Equilibria of Mixtures Containing Organic Sulfur Species (OSS) and Water/Hydrocarbons: VLE Measurements and Modeling Using the Cubic-Plus-Association Equation of State

Phase Equilibria of Three Binary Mixtures: Methanethiol + Methane, Methanethiol + Nitrogen, and Methanethiol + Carbon Dioxide

Phase Equilibrium Measurements and Modeling of 1-Propanethiol +1-Butanethiol + CH4 in Methane Ternary System at 303, 336, and 368 K and Pressure Up to 9 MPa

Phase Equilibrium Modelling for Mixtures with Acetic Acid Using an Association Equation of State

Phase equilibria for complex polymer solutions

Phase equilibria modeling of methanol-containing systems with the CPA and sPC-SAFT equations of state

Phase equilibrium of North Sea oils with polar chemicals: Experiments and CPA modeling

Pitfalls of using the geometric-mean combining rule in the density gradient theory

Potential Theory of Adsorption for Associating Mixtures: Possibilities and Limitations

Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR

article published in 2006

Prediction and Correlation of High-Pressure Gas Solubility in Polymers with Simplified PC-SAFT

Prediction of Gas Injection Effect on Asphaltene Precipitation Onset Using the Cubic and Cubic-Plus-Association Equations of State

Prediction of Liquid-Liquid Equilibrium for Binary Polymer Solutions with Simple Activity Coefficient Models

article by Georgios Kontogeorgis et al published May 1995 in Industrial & Engineering Chemistry Research

Prediction of gas solubilities in elastomeric polymers for the design of thermopane windows

Prediction of solid–gas equilibria with the Peng–Robinson equation of state

Prediction of the vapor–liquid equilibria and speed of sound in binary systems of 1-alkanols and n-alkanes with the simplified PC-SAFT equation of state

article published in 2013

Preparation and structural characterisation of novel and versatile amphiphilic octenyl succinic anhydride–modified hyaluronic acid derivatives

Process Design of Industrial Triethylene Glycol Processes Using the Cubic-Plus-Association (CPA) Equation of State

Prospects of the use of nanofluids as working fluids for organic Rankine cycle power systems

Recent applications of the cubic-plus-association (CPA) equation of state to industrially important systems

Selective oxidation of benzyl alcohol in dense CO2: Insight by phase behavior modeling

Simple activity coefficient model for the prediction of solvent activities in polymer solutions

Simultaneous Description of Activity Coefficients and Solubility with eCPA

Solubility of gases and solvents in silicon polymers: molecular simulation and equation of state modeling

Systematic identification method for data analysis and phase equilibria modelling for lipids systems

Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 1. Pure Compounds and Self-Associating Systems

Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 2. Cross-Associating and Multicomponent Systems

The Debye-Hückel theory and its importance in modeling electrolyte solutions

The role of chemical engineering in medicinal research including Alzheimer's

scientific article

The role of monomer fraction data in association theories—Can we improve the performance for phase equilibrium calculations?

Thermodynamic Modeling of Acidic Gas Solubility in Aqueous Solutions of MEA, MDEA and MEA−MDEA Blends

Thermodynamic Modeling of Natural Gas Systems Containing Water

article published in 2013

Thermodynamic Models for Industrial Applications

article

Thermodynamic modeling of the solubility of CO2 in aqueous alkanolamine solutions using the extended UNIQUAC model application to monoethanolamine and methyldiethanolamine

Thermodynamically based solvent design for enzymatic saccharide acylation with hydroxycinnamic acids in non-conventional media ⬇️

scientific article published on November 30, 2011

Thermodynamics 2015 Conference Copenhagen, Denmark, 15–18 September 2015

scholarly article by Ioannis G. Economou & Georgios Kontogeorgis published 16 September 2016 in Molecular Physics

Thermodynamics of Triethylene Glycol and Tetraethylene Glycol Containing Systems Described by the Cubic-Plus-Association Equation of State

article by Martin P. Breil & Georgios Kontogeorgis published 3 June 2009 in Industrial & Engineering Chemistry Research

Thermodynamics of paint-related systems with engineering models

Thirty Years with EoS/GE Models—What Have We Learned?

Towards predictive association theories

Uncertainty analysis of the CPA and a quadrupolar CPA equation of state – With emphasis on CO2

Use of monomer fraction data in the parametrization of association theories

Vapor–Liquid Equilibrium of Methane with Water and Methanol. Measurements and Modeling

Vapor–Liquid–Liquid Equilibrium Measurements and Modeling of Ethanethiol + Methane + Water, 1-Propanethiol + Methane + Water and 1-Butanethiol + Methane + Water Ternary Systems at 303, 335, and 365 K and Pressure Up to 9 MPa

Vapor–Liquid–Liquid Equilibrium Measurements and Modeling of the Methanethiol + Methane + Water Ternary System at 304, 334, and 364 K

Vapor–liquid, liquid–liquid and vapor–liquid–liquid equilibrium of binary and multicomponent systems with MEG