Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement

HM Polat, FM Coelho, TJH Vlugt… - Journal of Chemical & …, 2024 - ACS Publications
An in-depth review of the available experimental and molecular simulation studies of CO2
diffusion in H2O, which is a central property in important industrial and environmental …

Behavior, mechanisms, and applications of low-concentration CO 2 in energy media

M Shen, W Guo, L Tong, L Wang, PK Chu… - Chemical Society …, 2025 - pubs.rsc.org
This review explores the behavior of low-concentration CO2 (LCC) in various energy media,
such as solid adsorbents, liquid absorbents, and catalytic surfaces. It delves into the …

The phonon theory of liquids and biological fluids: Developments and applications

D Bolmatov - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
Among the three basic states of matter (solid, liquid, and gas), the liquid state has always
eluded general theoretical approaches for describing liquid energy and heat capacity. In this …

Diffusion of hydrocarbons diluted in supercritical carbon dioxide

D Saric, G Guevara-Carrion, Y Gaponenko… - Scientific reports, 2023 - nature.com
Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or
naphthalene) diluted in supercritical carbon dioxide (CO 2) is studied by molecular …

[HTML][HTML] Experimental and thermodynamic study of amyl acetate, amyl acetoacetate, and isoamyl acetoacetate in CO2 solvent

HS Lee, D Baskaran, MS Park, HS Byun - Journal of CO2 Utilization, 2024 - Elsevier
Acetate ester compounds find widespread use in various applications such as surface
coatings, ink formulations, pharmaceuticals, and adhesives. It is essential to investigate the …

Thermodynamics of supercritical carbon dioxide mixtures across the Widom line

D Saric, G Guevara-Carrion, J Vrabec - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
Supercritical carbon dioxide (scCO2) mixtures are essential for many industrial applications.
However, the knowledge of their thermophysical properties in the extended critical region is …

Density fluctuations and transport properties of supercritical carbon dioxide calculated by molecular dynamics simulation near the Widom line

Y Du, L Liu, G Liao, F Zhang, E Jiaqiang - The Journal of Supercritical …, 2023 - Elsevier
The phenomenon of supercritical pseudo-boiling reveals the anomalous behavior of various
physical and chemical properties of supercritical fluids near the Widom line (WL). To explore …

Berberis Vulgaris Fruit: Determination of Phenolic Compounds in Extracts Obtained by Supercritical CO2 and Soxhlet Methods Using HPLC

L Nuralın, M Gürü - Food analytical methods, 2022 - Springer
Recently, research studies on nutraceutically important polyphenolic substances have
attracted intensive attention. Berberis vulgaris is an important source of polyphenolic …

[HTML][HTML] Is Stokes-Einstein relation valid for the description of intra-diffusivity of hydrogen and oxygen in liquid water?

IN Tsimpanogiannis, OA Moultos - Fluid Phase Equilibria, 2023 - Elsevier
In this study, all available data from experiments and molecular simulations for the intra-
diffusivities of H 2 and O 2 in H 2 O, and for the self-diffusivity of pure H 2 O are analyzed to …

Molecular dynamics investigation on Widom line of binary mixtures of supercritical carbon dioxide containing noble gases

Y Du, L Liu, G Liao, F Zhang, E Jiaqiang… - The Journal of …, 2023 - Elsevier
This work focuses on the effects of the addition of noble gases (Xe and Kr) at different
concentrations on the thermodynamic properties and Widom line (WL) of supercritical …