New Paradigm in Electrolyte Thermodynamics (ElectroThermo)

Kontogeorgis, Georgios (PI)
Liang, Xiaodong (Project Participant)
von Solms, Nicolas (Project Participant)
Panagiotopoulos, Athanassios Z. (Collaborative Partner)
Economou, Ioannis (Collaborative Partner)
De Hemptinne, Jean-Charles (Collaborative Partner)
Castier, Marcelo (Collaborative Partner)
Novak, Nefeli Effrosyni (Project Participant)
Olsen, Martin Due (PhD Student)
Tsochantaris, Evangelos (PhD Student)
Vinod Muthachikavil, Aswin (PhD Student)
Silva, Gabriel Moraes (PhD Student)
Fromsejer, Rasmus (PhD Student)
Yang, Fufang (Project Participant)
Naseri Boroujeni, Saman (PhD Student)
Chen, Yuqiu (Project Participant)
Sun, Li (Project Participant)
Perederic, Olivia Ana (Project Coordinator)
Drougkas, Evangelos (PhD Student)

12 Journal article

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2022
Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of State
Walker, P. J., Liang, X. & Kontogeorgis, G. M., 2022, In: Fluid Phase Equilibria. 551, 23 p., 113256.
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2021
Application of Quantum Chemistry Insights to the Prediction of Phase Equilibria in Associating Systems
Towne, J., Liang, X. & Kontogeorgis, G. M., 2021, In: Industrial and Engineering Chemistry Research. 60, 16, p. 5992–6005
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Distinguishing Weak and Strong Hydrogen Bonds in Liquid Water-A Potential of Mean Force-Based Approach
Muthachikavil, A. V., Peng, B., Kontogeorgis, G. M. & Liang, X., 2021, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 125, 26, p. 7187–7198
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Industrial Requirements for Thermodynamic and Transport Properties: 2020
Kontogeorgis, G. M., Dohrn, R., Economou, I. G., de Hemptinne, J-C., Ten Kate, A., Kuitunen, S., Mooijer, M., Žilnik, L. F. & Vesovic, V., 2021, In: Industrial and Engineering Chemistry Research. 60, 13, p. 4987-5013
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Investigation of the performance of e-CPA for a wide range of properties for aqueous NaCl solutions
Olsen, M. D., Kontogeorgis, G. M., Liang, X. & Solms, N. V., 2021, In: Fluid Phase Equilibria. 548, 16 p., 113167.
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Modeling of Gas Solubility in Aqueous Electrolyte Solutions with the eSAFT-VR Mie Equation of State
Novak, N., Kontogeorgis, G. M., Castier, M. & Economou, I. G., 2021, In: Industrial and Engineering Chemistry Research. 60, 42, p. 15327–15342
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Water-Hydrocarbon Phase Equilibria with SAFT-VR Mie Equation of State
Novak, N., Kontogeorgis, G. M., Castier, M. & Economou, I. G., 2021, In: Industrial and Engineering Chemistry Research. 60, 14, p. 5278-5299
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2020
Analysis of Some Electrolyte Models Including Their Ability to Predict the Activity Coefficients of Individual Ions
Sun, L., Liang, X., von Solms, N. & Kontogeorgis, G. M., 2020, In: Industrial and Engineering Chemistry Research. 59, 25, p. 11790-11809
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Equations of state in three centuries. Are we closer to arriving to a single model for all applications?
Kontogeorgis, G. M., Liang, X., Arya, A. & Tsivintzelis, I., 2020, In: Chemical Engineering Science: X. 7, 20 p., 100060.
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Evaluating the Performance of the PC-SAFT and CPA Equations of State on Anomalous Properties of Water
Tsochantaris, E., Liang, X. & Kontogeorgis, G. M., 2020, In: Journal of Chemical and Engineering Data. 65, 12, p. 5718–5734
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Predicting activity coefficients with the Debye‐Hückel theory using concentration dependent static permittivity
Lei, Q., Peng, B., Sun, L., Luo, J., Chen, Y., Kontogeorgis, G. M. & Liang, X., 2020, In: AIChE Journal. 66, 11, 13 p., e16651.
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Solubility modeling of air in aqueous electrolyte solutions with the E-CPA equation of state
Sun, L., Liang, X., von Solms, N. & Kontogeorgis, G. M., 2020, In: Industrial & Engineering Chemistry Research. 59, 41, p. 18693-18704
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New Paradigm in Electrolyte Thermodynamics (ElectroThermo)

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