Molecular interaction of Asphalt-Aggregate interface modified by silane coupling agents at dry and wet conditions

B Cui, H Wang - Applied Surface Science, 2022 - Elsevier
This study investigated interfacial behavior of asphalt-aggregate system modified by silane
coupling agents (SCA). Molecular dynamics (MD) were used to simulate the interface …

Effect of electric field intensity on droplet fragmentation in oil-in-water-in-oil (O/W/O) emulsions: A molecular dynamics study

Z Sun, W Li, Q Chen, N Li, S Weng, Y Liu, T Liu… - Separation and …, 2023 - Elsevier
Abstract Oil-in-water-in-oil (O/W/O) emulsions commonly exist in crude oil treatment, food
processing, pharmaceuticals, and cosmetics; however, few related studies have been …

Mechanism analysis of oil-in-water-in-oil droplet deformation and breaking under pulsed alternating current field: A molecular dynamics study

Y Xie, Z Sun, Y Chen, T Liu, W Li, N Li - Separation and Purification …, 2025 - Elsevier
In recent years, the emergence of complex emulsions, such as oil-in-water-in-oil (O/W/O)
systems, has significantly hindered the efficiency of electrostatic demulsification …

Properties of ladder-like polysilsesquioxane-modified insulation paper cellulose with different substituents

Z Wang, Z Zeng, H Li, C Tang - Journal of Industrial and Engineering …, 2024 - Elsevier
Developing insulation paper with strong mechanical properties, low dielectric constant and
high thermal stability is an important development direction in the power insulation industry …

The structure of water–Acetamide hydrogen bonded complexes. Quantum chemical analysis

MA Krestyaninov, EG Odintsova, AM Kolker… - Journal of Molecular …, 2018 - Elsevier
The structure of acetamide dimers and hydrogen-bonded complexes of acetamide with
water molecules (1–4 molecules in the complex) have been studied by quantum chemical …

The effect of surface hydroxylation of Nano-SiO2 on the insulating paper cellulose/Nano-SiO2 interface

L Yang, X Wang, Q Qiu, J Gao, C Tang - Materials Chemistry and Physics, 2021 - Elsevier
It has become an important method to modify cellulose insulating paper by doping nano-SiO
2 particles to improve its thermal stability. But in the doping process, the pure nano-SiO 2 …

DFT study of solvent effects for some organic molecules using a polarizable continuum model

Y Wang, X Cheng, X Yang, X Yang - Journal of solution chemistry, 2006 - Springer
Forty ionic molecules are studied by DFT (B3LYP, B3P86), MP4 with different basis sets
using the PCM/UAHF model within the self-consistent reaction-field method to assess …

Molecular dynamics simulation of acetamide solvation using interaction energy components: Application to structural and energy properties

ST Arroyo, JAS Martín, AH García - Chemical physics, 2006 - Elsevier
Molecular dynamics simulation of an aqueous solution of acetamide was performed using
Lennard–Jones 12-6-1 potentials to describe the solute–solvent interactions, and TIP3P to …

The (p-Vm-Tx) properties of {water (1)+ acetamide (2)} mixtures in the range 278.15–323.15 K and 0.10–100 MPa

GI Egorov, AM Kolker - The Journal of Chemical Thermodynamics, 2019 - Elsevier
The density ρ at atmospheric pressure and compression ratios k= Δ V/V o of the {water (1)+
acetamide (2)} mixture in the range of temperature from 278.15 K to 323.15 K (278.15 …

The Novel Mechanism of Vibration Effect on Head Loss—Experiment, Simulation and Theory Analysis

L Yang, H Wang - Applied Sciences, 2022 - mdpi.com
As is known to us all, head loss affects the water transmission process, especially under the
vibration condition. However, the detailed mechanism of the vibration effect on head loss …