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 …

Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water

S Blazquez, MM Conde, C Vega - The Journal of Chemical Physics, 2023 - pubs.aip.org
In this work, we discuss the use of scaled charges when developing force fields for NaCl in
water. We shall develop force fields for Na+ and Cl− using the following values for the …

[HTML][HTML] The impact of climate on solvent-based direct air capture systems

K An, A Farooqui, ST McCoy - Applied Energy, 2022 - Elsevier
Direct air capture (DAC) is increasingly seen as a critical technology to reach mid-century
net-zero targets and limit climate change to well below 2° C. While the commercialization of …

Experimental and thermodynamic modelling of systems containing water and ethylene glycol: Application to flow assurance and gas processing

H Haghighi, A Chapoy, R Burgess, B Tohidi - Fluid Phase Equilibria, 2009 - Elsevier
Accurate knowledge of hydrate phase equilibrium in the presence of inhibitors is crucial to
avoid gas hydrate formation problems and to design/optimize production, transportation and …

Measurement and modelling of interfacial tension in methane/water and methane/brine systems at reservoir conditions

K Kashefi, LMC Pereira, A Chapoy, R Burgass… - Fluid Phase …, 2016 - Elsevier
It is well established that the presence of salt in the aqueous phase raises the interfacial
tension (IFT) of gas–water systems when compared to the case of pure water under the …

pH of CO2 saturated water and CO2 saturated brines: Experimental measurements and modelling

RK Haghi, A Chapoy, LMC Peirera, J Yang… - International Journal of …, 2017 - Elsevier
In this work, both spectroscopic and electrometric methods were employed to measure the
pH of water saturated with carbon dioxide at pressures up to 6 MPa, temperature ranges …

NaCl-induced enhancement of thermodynamic and kinetic CO2 selectivity in CO2+ N2 hydrate formation and its significance for CO2 sequestration

J Mok, W Choi, S Kim, J Lee, Y Seo - Chemical Engineering Journal, 2023 - Elsevier
The importance of carbon capture and storage (CCS) has recently been emphasized owing
to the ever-increasing global warming. Direct CO 2 sequestration in marine sediments is an …

Study of the impact of high temperatures and pressures on the equilibrium densities and interfacial tension of the carbon dioxide/water system

LMC Pereira, A Chapoy, R Burgass, MB Oliveira… - The Journal of Chemical …, 2016 - Elsevier
The development of successful and economical CO 2 geological storage projects requires a
precise estimation of the saturated phase densities and interfacial tension of the CO 2/H 2 O …

Development of dual functional methodology for seawater desalination and salt manufacture by carbon dioxide hydrate formation

A Gibo, S Nakao, S Shiraishi, S Takeya, S Tomura… - Desalination, 2022 - Elsevier
Clathrate-hydrate-based seawater desalination is a novel technology that is performed by
reaction between seawater and guest compounds to obtain fresh water. This study proposed …

Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field

LF Sedano, S Blazquez, EG Noya, C Vega… - The Journal of chemical …, 2022 - pubs.aip.org
In this work, we studied the effect of Li+, Na+, K+, Mg 2+, and Ca 2+ chlorides and sulfates
on the temperature of maximum density (TMD) of aqueous solutions at room pressure …