[HTML][HTML] Physicochemical properties and structure of fluid at nano-/micro-interface: Progress in simulation and experimental study

Q Gao, Y Zhang, S Xu, A Laaksonen, Y Zhu, X Ji… - Green Energy & …, 2020 - Elsevier
In modern chemical engineering processes, the involvement of solid/fluid interface is the
most important component of process intensification techniques, such as confined …

Molecular hydration: Interfacial supersolidity and its functionality

H Fang, X Wang, Y Zhou, C Zhang, T Tan, C Yao… - Coordination Chemistry …, 2024 - Elsevier
Interaction between an organic molecular solute and its hydrating H 2 O molecules is of
great importance to processes varying from cryopreservation, denaturation of protein and …

[HTML][HTML] Raman study of mixed solutions of methanol and ethanol

A Emin, A Hushur, T Mamtimin - AIP Advances, 2020 - pubs.aip.org
Methanol and ethanol are the simplest alcohols, which are widely used in industrial and
medical fields, and even in daily life, we are often exposed to them because the basic …

The surface tension and interfacial composition of water/ethanol mixture

CM Phan - Journal of Molecular Liquids, 2021 - Elsevier
This study develops a model to fit the surface tension of the water/ethanol mixture for the
complete composition range from 0 to 1. The theoretical framework complements Van Der …

Hydrogen bond network relaxation resolved by alcohol hydration (methanol, ethanol, and glycerol)

Y Gong, Y Xu, Y Zhou, C Li, X Liu, L Niu… - Journal of Raman …, 2017 - Wiley Online Library
Although the alcohol–water mixtures are ubiquitously important to beverage and pharmacy
industries, it remains yet puzzling how the alcohols interact with water molecules and how …

Aqueous charge injection: solvation bonding dynamics, molecular nonbond interactions, and extraordinary solute capabilities

CQ Sun - International Reviews in Physical Chemistry, 2018 - Taylor & Francis
Aqueous charge injection in forms of electrons, protons, lone pairs, ions, and molecular
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …

Systematic approach for wettability prediction using molecular dynamics simulations

A Jarray, H Wijshoff, JA Luiken, WK den Otter - Soft matter, 2020 - pubs.rsc.org
We present a fast and efficient approach to predict the wettability and spreading of liquids on
polymeric substrates. First, a molecular dynamics parameterization is proposed for the …

Adsorption and volumetric properties of some nonionic surfactants and their mixtures with quercetin and rutin

K Szymczyk, A Taraba, A Zdziennicka… - Advances in Colloid and …, 2023 - Elsevier
The adsorption and volumetric properties of the Triton X-114 (TX114), Tween 80 (T80),
quercetin (Q) and rutin (Ru) at the different temperatures in relation to above properties of …

Salting-Up of Surfactants at the Surface of Saline Water as Detected by Tensiometry and SFG and Supported by Molecular Dynamics Simulation

CV Nguyen, M Peng, TT Duignan… - The Journal of Physical …, 2022 - ACS Publications
Surfactant adsorption at the air–water interface is critical to many industrial processes but its
dependence on salt ions is still poorly understood. Here, we investigate the adsorption of …

Adsorption of sodium iodine at air/water interface

CV Nguyen, H Nakahara, O Shibata… - Journal of Molecular …, 2020 - Elsevier
The change in surface potential was measured for NaI solutions. The modelled surface
charge was then calculated and compared with molecular simulations. It was found that I …