A review of electrolyte equations of state with emphasis on those based on cubic and cubic-plus-association (CPA) models

GM Kontogeorgis, A Schlaikjer, MD Olsen… - International Journal of …, 2022 - Springer
Electrolyte thermodynamics is a complex and broad subject of immense importance in very
diverse applications. The models proposed for electrolyte solutions have some similarities to …

[HTML][HTML] Working fluid and system optimisation of organic Rankine cycles via computer-aided molecular design: A review

CN Markides, A Bardow, M De Paepe… - Progress in Energy and …, 2025 - Elsevier
Organic Rankine cycle (ORC) systems are a class of distributed power-generation systems
that are suitable for the efficient conversion of low-to-medium temperature thermal energy to …

Peng-Robinson equation of state: 40 years through cubics

JS Lopez-Echeverry, S Reif-Acherman… - Fluid Phase …, 2017 - Elsevier
Since its publication in 1976, the Peng & Robinson equation of state (PR EoS) has become
one of the most useful and successfully applied models for thermodynamic and volumetric …

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

GM Kontogeorgis, B Maribo-Mogensen… - Fluid Phase Equilibria, 2018 - Elsevier
A colleague at the Technical University of Denmark has often stated:“Life is too short for
electrolytes”. Another well-known scientist in the field of molecular simulation has recently …

ePC-SAFT advanced-Part I: Physical meaning of including a concentration-dependent dielectric constant in the born term and in the Debye-Hückel theory

M Bülow, M Ascani, C Held - Fluid Phase Equilibria, 2021 - Elsevier
The transition from aqueous electrolyte systems to non-aqueous electrolyte systems is
highly demanded in industrial applications and especially challenging for physics-based …

A New Force Field for OH for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions

P Habibi, A Rahbari, S Blazquez, C Vega… - The Journal of …, 2022 - ACS Publications
The thermophysical properties of aqueous electrolyte solutions are of interest for
applications such as water electrolyzers and fuel cells. Molecular dynamics (MD) and …

Solubility of electrolytes in organic solvents: solvent-specific effects and ion-specific effects

D Pabsch, P Figiel, G Sadowski… - Journal of Chemical & …, 2022 - ACS Publications
Salt solubility in organic solvents is of particular interest in industry, for example, for carbon
capture and storage or utilization processes, battery technology, or biotechnology …

ePC-SAFT advanced–Part II: Application to salt solubility in ionic and organic solvents and the impact of ion pairing

M Bülow, M Ascani, C Held - Fluid Phase Equilibria, 2021 - Elsevier
The applications of electrolyte thermodynamic models to non-aqueous systems is of great
value to reduce experimental effort and gain inside into molecular interactions. A large-scale …

Mixed Solvent Electrolyte Solutions: A Review and Calculations with the eSAFT-VR Mie Equation of State

N Novak, GM Kontogeorgis, M Castier… - Industrial & …, 2023 - ACS Publications
In this work, mixed-solvent mean ionic activity coefficients (MIAC), vapor–liquid equilibrium
(VLE), and liquid–liquid equilibrium (LLE) of electrolyte solutions have been addressed. An …

Thermodynamic study of the CO2–H2O–NaCl system: Measurements of CO2 solubility and modeling of phase equilibria using Soreide and Whitson, electrolyte CPA …

S Chabab, P Théveneau, J Corvisier… - International Journal of …, 2019 - Elsevier
The thermodynamic study of the CO 2-H 2 O-NaCl system is of great importance whether in
an environmental context as part of Carbon Capture and Storage (CCS) or in an economic …