Extension of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions

Activity Coefficients and Solubilities of NaCl in Water–Methanol Solutions from Molecular Dynamics Simulations

(2022) Sina Hassanjani Saravi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Rigorous Phase Equilibrium Calculation Methods for Strong Electrolyte Solutions: The Isothermal Flash

(2022) Ilias K. Nikolaidis et al.   FLUID PHASE EQUILIBRIA

Temperature dependence and short-range electrolytic interactions within the e-PPC-SAFT framework

(2022) Juan Sebastián Roa Pinto et al.   FLUID PHASE EQUILIBRIA

ePC-SAFT advanced - Part I: Physical Meaning of Including a concentration-dependent dielectric constant in the Born term and in the Debye-Hückel theory

(2021) Mark Bülow et al.   FLUID PHASE EQUILIBRIA

Prediction of salting‐out in liquid‐liquid two‐phase systems with ePC‐SAFT: Effect of the Born term and of a concentration‐dependent dielectric constant

(2021) Moreno Ascani et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

ePC-SAFT advanced – Part II: Application to Salt Solubility in Ionic and Organic Solvents and the Impact of Ion Pairing

(2021) Mark Bülow et al.   FLUID PHASE EQUILIBRIA

Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of State

(2021) Pierre J. Walker et al.   FLUID PHASE EQUILIBRIA

Investigation of the performance of e-CPA for a wide range of properties for aqueous NaCl solutions

(2021) Martin Due Olsen et al.   FLUID PHASE EQUILIBRIA

Modeling of Gas Solubility in Aqueous Electrolyte Solutions with the eSAFT-VR Mie Equation of State

(2021) Nefeli Novak et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Analysis of Some Electrolyte Models including Their Ability to Predict the Activity Coefficients of Individual Ions

(2020) Li Sun et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Thermodynamically Consistent Equations for the Accurate Description of the Logarithm of the Solvent Activity and Related Properties of Electrolyte Solutions with a Unique Set of Parameters: Critical Analysis of the Mean Activity Coefficient Evaluation

(2020) Francisco J. Passamonti et al.   JOURNAL OF SOLUTION CHEMISTRY

Incorporating a concentration-dependent dielectric constant into ePC-SAFT. An application to binary mixtures containing ionic liquids

(2019) Mark Bülow et al.   FLUID PHASE EQUILIBRIA

Electrical Conductivity of Lithium Chloride, Lithium Bromide, and Lithium Iodide Electrolytes in Methanol, Water, and Their Binary Mixtures

(2019) Xi Wu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Calculation of thermodynamic equilibria with the predictive electrolyte model COSMO-RS-ES: Improvements for low permittivity systems

(2019) Simon Müller et al.   FLUID PHASE EQUILIBRIA

Salt-Free Strategy for the Insertion of CO2 into C−H Bonds: Catalytic Hydroxymethylation of Alkynes

(2018) Timo Wendling et al.   CHEMISTRY-A EUROPEAN JOURNAL

A thermodynamic model for strong aqueous electrolytes based on the eSAFT-VR Mie equation of state

(2018) Muaz A. Selam et al.   FLUID PHASE EQUILIBRIA

Modeling of mixed-solvent electrolyte systems

(2018) Saifuddin Ahmed et al.   FLUID PHASE EQUILIBRIA

Predicting the thermodynamic properties of experimental mixed-solvent electrolyte systems using the SAFT-VR+DE equation of state

(2018) Gaurav Das et al.   FLUID PHASE EQUILIBRIA

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

(2018) Georgios M. Kontogeorgis et al.   FLUID PHASE EQUILIBRIA

Osmotic and activity coefficients for five lithium salts in three non–aqueous solvents

(2018) Nan Xin et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

A SAFT-VR+DE equation of state based approach for the study of mixed dipolar solvent electrolytes

(2016) Gaurav Das et al.   FLUID PHASE EQUILIBRIA

Modeling of CO 2 solubility in single and mixed electrolyte solutions using statistical associating fluid theory

(2016) Hao Jiang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state

(2016) Daniel K. Eriksen et al.   MOLECULAR PHYSICS

An electrolyte CPA equation of state for mixed solvent electrolytes

(2015) Bjørn Maribo-Mogensen et al.   AICHE JOURNAL

Developing intermolecular-potential models for use with the SAFT-VRMie equation of state

(2015) Simon Dufal et al.   AICHE JOURNAL

THERMODYNAMIC PROPERTIES OF NONAQUEOUS SINGLE SALT SOLUTIONS USING THE Q-ELECTROLATTICE EQUATION OF STATE

(2015) A. Zuber et al.   BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING

The Role of Concentration Dependent Static Permittivity of Electrolyte Solutions in the Debye–Hückel Theory

(2015) Ignat Yu. Shilov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids

(2015) Simon Dufal et al.   MOLECULAR PHYSICS

ePC-SAFT revised

(2014) Christoph Held et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

An empirical equation for the dielectric constant in aqueous and nonaqueous electrolyte mixtures

(2014) André Zuber et al.   FLUID PHASE EQUILIBRIA

Electrolyte CPA equation of state for very high temperature and pressure reservoir and basin applications

(2014) Xavier Courtial et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range

(2014) Jens M.A. Schreckenberg et al.   MOLECULAR PHYSICS

Modeling of Strong Electrolytes with ePPC-SAFT up to High Temperatures

(2013) Justyna Rozmus et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

(2013) Thomas Lafitte et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling of Dielectric Properties of Complex Fluids with an Equation of State

(2013) Bjørn Maribo-Mogensen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling of Dielectric Properties of Aqueous Salt Solutions with an Equation of State

(2013) Bjørn Maribo-Mogensen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamics Studies on the Solubility of Inorganic Salt in Organic Solvents: Application to KI in Organic Solvents and Water–Ethanol Mixtures

(2012) Bingwen Long et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

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

(2012) Bjørn Maribo-Mogensen et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Measuring and modeling alcohol/salt systems

(2011) Christoph Held et al.   CHEMICAL ENGINEERING SCIENCE

Experimental measurement and modeling of solubility of LiBr and LiNO3 in methanol, ethanol, 1-propanol, 2-propanol and 1-butanol

(2011) Mi-Yi Li et al.   FLUID PHASE EQUILIBRIA

Experimental Studies and Thermodynamic Modeling of the Solubilities of Potassium Nitrate, Potassium Chloride, Potassium Bromide, and Sodium Chloride in Dimethyl Sulfoxide

(2011) Bingwen Long   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

An Examination of the Ternary Methane + Carbon Dioxide + Water Phase Diagram using the SAFT-VR Approach

(2011) J. M. Míguez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Equation of state for aqueous electrolyte systems based on the semirestricted non-primitive mean spherical approximation

(2010) Stefanie Herzog et al.   FLUID PHASE EQUILIBRIA

The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations

(2010) Julianna Vincze et al.   JOURNAL OF CHEMICAL PHYSICS

Reservoir Modeling in Shale-Gas Reservoirs

(2010) Craig L. Cipolla et al.   SPE RESERVOIR EVALUATION & ENGINEERING

The simultaneous representation of dielectric constant, volume and activity coefficients using an electrolyte equation of state

(2008) Radia Inchekel et al.   FLUID PHASE EQUILIBRIA

Prediction of binary intermolecular potential parameters for use in modelling fluid mixtures

(2008) Andrew J. Haslam et al.   FLUID PHASE EQUILIBRIA

Modeling aqueous electrolyte solutions

(2008) Christoph Held et al.   FLUID PHASE EQUILIBRIA