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2022

ERC 2022-01
A benchmark database for mixed-solvent electrolyte solutions: Consistency analysis using e-NRTL
Yang Fufang, Ngo Tri-Dat, Kontogeorgis Georgios, de Hemptinne, Jean-Charles
Submitted to the Industrial & Engineering Chemistry Research

ERC 2022-02
On the Derivations of the Debye-Huckel Equations
Gabriel M. Silva, Xiaodong Liang, and Georgios M. Kontogeorgis
Submitted to Molecular Physics

ERC2022-03
Rigorous Phase Equilibrium Calculation Methods for Strong Electrolyte Solutions: The Isothermal Flash
Ilias K. Nikolaidis, Nefeli Novak, Georgios M. Kontogeorgis, and Ioannis G. Economou
For publication in Fluid Phase Equilibria

ERC2022-04
Investigation of the limits of the linearized Poisson-Boltzmann equation
Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted to J. Phys. Chem. B

 

2021

ERC 2021-01
Electrolyte Thermodynamics challenges – from industrial needs to academic research
Georgios M. Kontogeorgis, Antoon ten Kate, Martha Hajiw-Riberaud, Jean-Charles de Hemptinne
submited to Fluid Phase Equilibria, Special Issue ESAT 2021 conference

ERC 2021-02
A comparison of models for the prediction of electrical conductivity of electrolyte solutions

Saman Naseri Boroujeni, Xiaodong Liang, Bjørn Maribo-Mogensen, Georgios M. Kontogeorgis
submitted to the Industrial & Engineering Chemistry Research.

ERC 2021-03
A review of electrolyte equations of state with emphasis on those based on cubic and cubic-plus-association (CPA) models
Georgios M. Kontogeorgis, Anders Schlaikjer, Martin Due Olsen, Bjørn Maribo-Mogensen, KajThomsen, Nicolas von Solms and Xiaodong Liang
Submitted to (Int.J.Thermophysics)

ERC 2021-04
Application of Quantum Chemistry Insights to the Prediction of Phase Equilibria in Associating Systems
John Towne, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted to Ind. Eng. Chem. Res.

ERC 2021-05
Water – hydrocarbon phase equilibria with SAFT-VR Mie equation of state
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier,and Ioannis G. Economou
For publication in Journal of Physical Chemistry B

ERC 2021-06
Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of State
Pierre J. Walker, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted to Fluid Phase Equilibrium

ERC 2021-07
Individual Ion Activity Coefficients in Aqueous Electrolytes fromExplicit-Water Molecular Dynamics Simulations
Sina Hassanjani Saravi and Athanassios Z. Panagiotopoulos
J. Phys. Chem. B

ERC 2021-08
Modeling of gas solubility in aqueous electrolyte solutions with SAFT-VR Mie equation of state
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, and Ioannis G. Economou
Submitted to Ind. Eng. Chem.

ERC 2021-09
Distinguishing Weak and Strong Hydrogen Bonds in Liquid Water – A Potential of Mean Force-Based Approach
Aswin V. Muthachikavil, Baoliang Peng, Georgios M. Kontogeorgis, and Xiaodong Liang
J. Phys. Chem. B 2021, 125, 7187−7198

ERC 2021-10
Industrial Requirements for Thermodynamic and Transport Properties – 2020
Georgios M. Kontogeorgis, Ralf Dohrn, Ioannis G. Economou, Jean-Charles de Hemptinne, Antoon ten Kate, Susanna Kuitunen, Miranda Mooijer, Ljudmila Fele Žilnik, and Velisa Vesovic
Ind. Eng. Chem. Res. 2021, 60, 13, 4987–5013

ERC 2021-11
Investigation of the performance of e-CPA for a wide range of properties for aqueous NaCl solutions
Martin Due Olsen, Georgios M. Kontogeorgis, Xiaodong Liang, Nicolas von Solms
Fluid Phase Equilibria Volume 548, 15 November 2021, 113167

ERC 2021-12 
An analysis of the parameters in the Debye-Hückel theory

Li Sun, Qun Lei, Baoliang Peng, Georgios M. Kontogeorgis, Xiaodong Liang

ERC 2021-13
Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations
Sina Hassanjani Saravi,Athanassios Z. Panagiotopoulos
Published J. Chem. Phys. 155, 184501 (2021); https://doi.org/10.1063/5.0064963 

 

 

2020

ERC 2020-01
Evaluating the performance of the PC-SAFT and CPA equations of state on water’s anomalous properties
Evangelos Tsochantaris, Xiaodong Liang, Georgios Kontogeorgis
Submitted to JCED (Special SAFT issue)

ERC 2020-02
Simulations of Activities, Solubilities, Transport Properties, and Nucleation Rates for Aqueous Electrolyte Solutions
Athanassios Z. Panagiotopoulos
(Accepted for Publication, J. Chem. Phys., 2020)

ERC 2020-03
Solubility Modeling of Air in Aqueous Electrolyte Solutions with the e-CPA Equation of State
Li Sun, Xiaodong Liang, Nicolas von Solms, Georgios M. Kontogeorgis

ERC 2020-04
Predicting activity coefficients with the Debye–Hückel theory using concentration dependent static permittivity
Qun Lei, Baoliang Peng, Li Sun, Jianhui Luo, Yuan Chen, Georgios M. Kontogeorgis, Xiaodong Liang

ERC 2020-05
Analysis of Some Electrolyte Models Including Their Ability to Predict the Activity Coefficients of Individual Ions

Li Sun, Xiaodong Liang, Nicolas von Solms, and Georgios M. Kontogeorgis
Ind. Eng. Chem. Res. 2020, 59, 25, 11790–11809

2019

ERC 2019-01 (CERE 1913)
“Equations of State in Three Centuries. Are we closer to arriving to a single model for all applications?”
Georgios M. Kontogeorgis, Xiaodong Liang, Alay Arya, and Ioannis Tsivintzelis
(Chemical Engineering Science, X 7 (2020) 1000060)

ERC 2019-02
“The impacts of using a concentration dependent static  permittivity in the Debye-Huckel theory”
Qun Lei, Baoliang Peng, Li Sun3, Jianhui Luo, Yuan Chen, Georgios M. Kontogeorgis, and Xiaodong Liang

ERC 2019-03
A Deeper Analysis of Some Electrolyte Models: Effect of Activity Coefficients of Individual Ions and Analysis of Terms
Li Sun, Xiaodong Liang, Nicolas von Solms, Georgios M. Kontogeorgis
(Submitted to Industrial & Engineering Chemistry Research.)