[HTML][HTML] Molecular simulation studies on natural gas hydrates nucleation and growth: A review

Z Zhang, N Wu, C Liu, X Hao, Y Zhang, K Gao, B Peng… - China Geology, 2022 - Elsevier
How natural gas hydrates nucleate and grow is a crucial scientific question. The research on
it will help solve practical problems encountered in hydrate accumulation, development, and …

Experimental investigation on hydrate anti-agglomerant for oil-free systems in the production pipe of marine natural gas hydrates

X Zhao, Q Fang, Z Qiu, S Mi, Z Wang, Q Geng, Y Zhang - Energy, 2022 - Elsevier
During the production of marine natural gas hydrates, as gas hydrates are easily formed,
they tend to agglomerate, deposit on the pipe walls, and eventually block the pipe. In this …

Surface science in the research and development of hydrate-based sustainable technologies

NN Nguyen, CV Nguyen, TAH Nguyen… - ACS Sustainable …, 2022 - ACS Publications
Compact gas inclusion in hydrates presents not only fascinating science but also wide-
ranging applications in sustainable energy and environmental technologies. The surface of …

Enhanced sampling in molecular dynamics simulations and their latest applications—A review

W Shen, T Zhou, X Shi - Nano Research, 2023 - Springer
Molecular dynamics (MD) simulations are capable of reproducing dynamic evolution at the
molecular scale, but are limited by temporal scales. Enhanced sampling has emerged as a …

Correlating antiagglomerant performance with gas hydrate cohesion

A Phan, M Stamatakis, CA Koh… - ACS applied materials & …, 2021 - ACS Publications
Although inhibiting hydrate formation in hydrocarbon–water systems is paramount in
preventing pipe blockage in hydrocarbon transport systems, the molecular mechanisms …

Free-energy landscapes of transmembrane homodimers by bias-exchange adaptively biased molecular dynamics

S Ito, Y Sugita - Biophysical Chemistry, 2024 - Elsevier
Membrane proteins play essential roles in various biological functions within the cell. One of
the most common functional regulations involves the dimerization of two single-pass …

Size dependence of the dissociation process of spherical hydrate particles via microsecond molecular dynamics simulations

S Mohr, R Pétuya, J Wylde, J Sarria… - Physical Chemistry …, 2021 - pubs.rsc.org
The dissociation process of spherical sII mixed methane–propane hydrate particles in liquid
hydrocarbon was investigated via microsecond-long molecular dynamics simulations. A …

Role of structural rigidity and collective behaviour in the molecular design of gas hydrate anti-agglomerants

F Sicard, A Striolo - Molecular Systems Design & Engineering, 2021 - pubs.rsc.org
Anti-agglomerants (AAs) are surface active molecules widely used in the petroleum industry,
among others. It is believed that AAs strongly adsorb onto the surface of hydrate particles to …

Ranking the efficiency of gas hydrate anti-agglomerants through molecular dynamic simulations

S Mohr, F Hoevelmann, J Wylde… - The Journal of …, 2021 - ACS Publications
Using both computational and experimental methods, the capacity of four different surfactant
molecules to inhibit the agglomeration of sII hydrate particles was assessed. The …

Assessing the effect of a liquid water layer on the adsorption of hydrate anti-agglomerants using molecular simulations

S Mohr, R Pétuya, J Sarria, N Purkayastha… - The Journal of …, 2022 - pubs.aip.org
We have performed molecular dynamics simulations to study the adsorption of ten hydrate
anti-agglomerants onto a mixed methane–propane sII hydrate surface covered by layers of …