Molecular modelling of the thermophysical properties of fluids: Expectations, limitations, gaps and opportunities

MJ Tillotson, NI Diamantonis, C Buda… - Physical Chemistry …, 2023 - pubs.rsc.org
This manuscript provides an overview of the current state of the art in terms of the molecular
modelling of the thermophysical properties of fluids. It is intended to manage the …

Machine Learning-Boosted Design of Ionic Liquids for CO2 Absorption and Experimental Verification

N Kuroki, Y Suzuki, D Kodama… - The Journal of …, 2023 - ACS Publications
Efficient CO2 capture is indispensable for achieving a carbon-neutral society while
maintaining a high quality of life. Since the discovery that ionic liquids (ILs; room …

Thermodynamic properties of hydrofluoroolefin (R1234yf and R1234ze (E)) refrigerant mixtures: Density, vapour-liquid equilibrium, and heat capacity data and …

SZS Al Ghafri, D Rowland, M Akhfash… - International Journal of …, 2019 - Elsevier
Liquid-phase and vapour-phase densities are reported for the binary refrigerant mixtures
(R125+ R1234ze (E)),(R134a+ R1234ze (E)),(R143a+ R1234ze (E)),(R1234ze (E)+ …

Measurement and modelling of the thermodynamic properties of carbon dioxide mixtures with HFO-1234yf, HFC-125, HFC-134a, and HFC-32: vapour-liquid …

A Arami-Niya, X **ao, SZS Al Ghafri, F Jiao… - International Journal of …, 2020 - Elsevier
Measurements of the thermodynamic properties for a series of more environmentally-friendly
refrigerant mixtures containing hydrofluorocarbons (HFCs), hydrofluoroolefins (HFOs), and …

Thermophysical properties of the energy carrier methanol under the influence of dissolved hydrogen

M Kerscher, JH Jander, F Luther, P Schühle… - International Journal of …, 2023 - Elsevier
The present experimental work focuses on revealing the influence of hydrogen (H 2) on the
interfacial tension, viscosity, density, and thermal diffusivity of the liquid phase of the energy …

Hydrogen solubility, interfacial tension, and density of the liquid organic hydrogen carrier system diphenylmethane/dicyclohexylmethane

JH Jander, PS Schmidt, C Giraudet… - International journal of …, 2021 - Elsevier
In the present study, physico-chemical properties of the liquid organic hydrogen carrier
(LOHC) system diphenylmethane/dicyclohexylmethane in the presence of dissolved …

Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa

S Schmitt, H Hasse, S Stephan - Journal of Chemical & …, 2024 - ACS Publications
The density of five 1-alcohols (1-hexanol, 1-heptanol, 1-octanol, 1-nonanol, and 1-decanol)
was measured using a vibrating-tube densimeter at pressures of up to 120 MPa for …

Comments on temperature calibration and uncertainty estimate of the vibrating tube densimeter operated at atmospheric pressure

O Prokopová, A Blahut, M Čenský, M Součková… - The Journal of Chemical …, 2022 - Elsevier
Vibrating tube densimeter (VTD) is a popular instrument providing a quick and accurate
measurement of density for large variety of liquids and gases. Sensitive commercial …

[HTML][HTML] Bubble points and densities of H2 (up to∼ 5%) in CO2-rich binary systems

F Okoro, FJ Owuna, A Chapoy, P Ahmadi… - Fluid Phase Equilibria, 2025 - Elsevier
In this study, experimental measurements of the bubble points of binary mixtures containing
varying concentrations of CO 2 (99.5%, 99%, 98.5%, 98%, and∼ 95%) with hydrogen (H 2) …

Density, Viscosity, CO2 and CH4 Solubility, and CO2/CH4 Selectivity of Protic and Aprotic Imidazolium and Ammonium Bis(trifluoromethanesulfonyl)amide and …

Y Suzuki, M Watanabe, D Kodama… - Journal of Chemical & …, 2024 - ACS Publications
We have investigated the density, viscosity, and CO2 and CH4 solubility of protic and aprotic
imidazolium-and ammonium-based ionic liquids (ILs). Protic ILs are 1-butylimidazolium bis …