Morphology of MoS2 nanosheets and its influence on water/oil interfacial tension: A molecular dynamics study

Fuel ◽  
2022 ◽  
Vol 312 ◽  
pp. 122938
Author(s):  
Yang Feng ◽  
Jirui Hou ◽  
Yulong Yang ◽  
Shuting Wang ◽  
Dongsen Wang ◽  
...  
Molecules ◽  
2019 ◽  
Vol 24 (12) ◽  
pp. 2248 ◽  
Author(s):  
Katarzyna Janicka ◽  
Piotr Beldowski ◽  
Tomasz Majewski ◽  
Wieslaw Urbaniak ◽  
Aneta D. Petelska

In this paper, we explain the amphoteric character of the cartilage surface by studying a lipid bilayer model built from phospholipids. We examined the interfacial tension values and molecular dynamics simulation in solutions of varying pH. The effects of negative and positive charge density (or fixed charges) on the (cartilage/cartilage) friction coefficient were investigated. In physiological (or synovial) fluid, after the isoelectric point (pI), the curve of interfacial tension decreases rapidly as it reaches pH 7.4 and then approaches a constant value at higher pH. It was shown that the curve of the interfacial tension curve exhibits a maximum value at the isoelectric point with a Gaussian shape feature. The phospholipid bilayers facilitate an almost frictionless contact in the joint. Moreover, the slippage of the bilayer and the short-range repulsion between the surfaces of the negatively charged cartilage surfaces are the main determinants of the low frictional properties of the joint.


2021 ◽  
Vol 874 ◽  
pp. 13-19
Author(s):  
Mia Ledyastuti ◽  
Joseph Jason ◽  
Reza Aditama

Interfacial tension is an important parameter in enhanced oil recovery (EOR). The interaction between water and oil phase is a determinant factor of the interfacial tension. The interfacial tension changes if another component is added to the water-oil system. This study investigates the effect of adding nanocellulose to the water-oil system. To determine the molecular interactions that occur, a molecular dynamics simulation was carried out using the GROMACS-2018 software. The simulation shows that addition of nanocellulose slightly decreases the water-oil interface tension. Further, based on the density profile, nanocellulose may act as an emulsifier due to its geometric position in the water-oil interface. This is similar to asphaltene, which is a natural emulsifier in crude oil. The nanocellulose performs better in the presence of 1% NaCl as compared to pure water.


2017 ◽  
Vol 136 (6) ◽  
Author(s):  
Elena R. Remesal ◽  
Javier Amaya Suárez ◽  
Antonio M. Márquez ◽  
Javier Fdez. Sanz ◽  
Cristina Rincón ◽  
...  

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