ERC2024-01
Theoretical and Practical Investigation of Ion-ion Association in Electrolyte Solutions
S. Naseri Boroujeni, B. Maribo-Mogensen, X. Liang, and G. M. Kontogeorgis
Submitted for publication

ERC2024-02
Ion pairing in ePPC-SAFT for aqueous and mixed-solvent alkali halide solutions
Fufang Yang, Abtin Raeispour Shirazi, Juan Sebastian Roa Pinto, Georgios M. Kontogeorgis, Nicolas Ferrando, Amparo Galindo, Jean-Charles de Hemptinne
Submitted for publications

ERC2024-03
Investigation of cross-association behavior in water-ethanol solutions: A combined computational-ATR spectroscopy study
Evangelos Drougkas, Carsten F. Frøstrup, Henrik G. Bohr, Michael Bache, Georgios M. Kontogeorgis, Xiaodong Liang*
Submitted for publications

ERC2024-04
Interpretation of ionic activity coefficients contributions from equations of state and molecular simulations in electrolyte solutions
Nefeli Novak, Fufang Yang, Martin Due Olsen, Xiaodong Liang, Nicolas von Solms, Ioannis G. Economou, Marcelo Castier, Jean-Charles de Hemptinne, Athanassios Z. Panagiotopoulos, Georgios M. Kontogeorgis
Submitted for publication

ERC2023-01
Mean ionic activity coefficient of associative electrolyte solutions, A comparison study
Saman Naseri Boroujeni, Bjørn Maribo-Mogensen, Xiaodong Liang, and Georgios M. Kontogeorgis
Submitted for publication

ERC2023-02
A novel hybrid process design for efficient recovery of ionic liquids from aqueous solutions
Yuqiu Chen, Xinyan Liu, Yang Lei, Xiaodong Liang, Rafiqul Gani, Georgios M. Kontogeorgis
Submitted for publication

ERC2023-03
A new electrical conductivity model for electrolyte solutions based on the Debye-Hückel-Onsager theory
Saman Naseri Boroujeni, Bjørn Maribo-Mogensen, Xiaodong Liang, and Georgios M. Kontogeorgis
Submitted for publication

ERC2023-04
Mixed solvent electrolyte solutions: a review and calculations with eSAFT-VR Mie Equation of State
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier,and Ioannis G. Economou
Submitted for publication

ERC2023-05
The connection between the Debye and GüNuntelberg Charging Processes and the importance of relative permittivity: the Ionic Cloud Charging Process
Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted for publication

ERC2023-06
Systematic evaluation of parameterization approaches for the ePPCSAFT model for aqueous alkali halide solutions. II. Alkali bromides, iodides, fluorides, and lithium halides
Fufang Yang, Georgios M. Kontogeorgis, Jean-Charles de Hemptinne
Submitted for publication

ERC2023-07
Theoretical considerations on single and mixed solvent electrolyte solutions 
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, and Ioannis G. Economou
Submitted for publication

ERC2023-08
Improving the Born equation: origin of the Born radius and introducing dielectric saturation effects
Gabriel M. Silva, Bjørn Maribo-Mogensen, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted for publication

ERC2023-09
Binding Debye-Hückel theory for associative electrolyte solutions
S. Naseri Boroujeni, B. Maribo-Mogensen, X. Liang, and G. M. Kontogeorgis
Submitted for publication

ERC2023-10
Composition-dependence of relative static permittivity in ePPC-SAFT for mixed-solvent alkali halides
Fufang Yang, Georgios M. Kontogeorgis and  Jean-Charles de Hemptinne
Submitted for publication

ERC2023-11
An investigation of the alcohols and water hydrogen bonding structure via monomer fraction studies
Evangelos Tsochantaris, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted for publication

ERC2023-12
Ion-ion association is lost by linearizing the Poisson-Boltzmann equation when deriving the Debye-Hückel equation
Gabriel M. Silva, Xiaodong Liang, and Georgios M. Kontogeorgis
Submitted for publication

ERC2023-13
Prediction of water anomalous properties by introducing the two-state theory in SAFT
Nefeli Novak, Xiaodong Liang and  Georgios M. Kontogeorgis
Submitted for publication

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

ERC2022-05
Activity Coefficients and Solubilities of NaCl in Water–Methanol Solutions from Molecular Dynamics Simulations
Sina Hassanjani Saravi and Athanassios Z. Panagiotopoulos
Submitted for publication

ERC2022-06
Multiple Insights Indicate thatWater’s Anomalies are Caused by Structural Fluctuations
Evangelos Tsochantaris, Aswin V. Muthachikavil, Baoliang Peng, Xiaodong Liang & Georgios M. Kontogeorgis
Submitted to the AIChE Journal

ERC2022-07
Extension of the eSAFT-VR Mie Equation of State from aqueous to non-aqueous electrolyte solutions
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, and Ioannis G. Economou
For publication in Fluid Phase Equilibria

ERC2022-08
How to account for the concentration dependency of relative permittivity in the Debye-HÅNuckel and Born equations
Gabriel M. Silva, Xiaodong Liang and Georgios M. Kontogeorgis
Submitted to FPE

ERC2022-09
Machine learning-based design of aqueous two-phase systems for biomolecule partitioning
Yuqiu Chen, Xiaodong Liang, Georgios M. Kontogeorgis
Submitted to Chemical Engineering Science

ERC2022-10
On the estimation of equivalent conductivity of electrolyte solutions; The effect of relative static permittivity
Saman Naseri Boroujeni, Bjørn Maribo-Mogensen; Xiaodong Liang & Georgios M. Kontogeorgis
Submitted for publication

ERC2022-11
Hydrogen Bonded Configurations in Liquid Water and Their Correlation with Local Tetrahedral Structures
Aswin V. Muthachikavil, Baoliang Peng, Georgios M. Kontogeorgis and Xiaodong Liang
Submitted to Molecular Physics journal

ERC2022-12
Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions.
Fufang Yang, Tri Dat Ngo, Juan Sebastian Roa Pinto, Georgios M. Kontogeorgis, Jean-Charles de Hemptinne
Submitted for publication

ERC2022-13
Comparisons of Equation of State models for Electrolytes: e-CPA and e-PPC-SAFT
Martin Due Olsen, Georgios M. Kontogeorgis, Jean-Charles de Hemptinne, Xiaodong Liang, Nicolas von Solms
Submitted for publication

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 

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

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.)