Influence of tribology on global energy consumption, costs and emissions

K Holmberg, A Erdemir - Friction, 2017 - Springer
Calculations of the impact of friction and wear on energy consumption, economic
expenditure, and CO 2 emissions are presented on a global scale. This impact study covers …

Using microemulsions: formulation based on knowledge of their mesostructure

M Gradzielski, M Duvail, PM de Molina… - Chemical …, 2021 - ACS Publications
Microemulsions, as thermodynamically stable mixtures of oil, water, and surfactant, are
known and have been studied for more than 70 years. However, even today there are still …

Lipid21: complex lipid membrane simulations with AMBER

CJ Dickson, RC Walker, IR Gould - Journal of chemical theory and …, 2022 - ACS Publications
We extend the modular AMBER lipid force field to include anionic lipids, polyunsaturated
fatty acid (PUFA) lipids, and sphingomyelin, allowing the simulation of realistic cell …

Advances in nonequilibrium molecular dynamics simulations of lubricants and additives

JP Ewen, DM Heyes, D Dini - Friction, 2018 - Springer
Nonequilibrium molecular dynamics (NEMD) simulations have provided unique insights into
the nanoscale behaviour of lubricants under shear. This review discusses the early history of …

A comparison of classical force-fields for molecular dynamics simulations of lubricants

JP Ewen, C Gattinoni, FM Thakkar, N Morgan… - Materials, 2016 - mdpi.com
For the successful development and application of lubricants, a full understanding of their
complex nanoscale behavior under a wide range of external conditions is required, but this …

Critical review of microemulsion phase behavior models: benefits, research gaps, industrial challenges, and roadmap

H Saboorian-Jooybari, Z Chen - Journal of Industrial and Engineering …, 2024 - Elsevier
Over the past decades, microemulsions have become increasingly attractive for application
in diverse areas of science and engineering mainly because of their high thermodynamic …

Optimization of the GAFF force field to describe liquid crystal molecules: the path to a dramatic improvement in transition temperature predictions

NJ Boyd, MR Wilson - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
The physical properties and phase transitions of thermotropic liquid crystals are highly
sensitive to small changes in chemical structure. However, these changes are challenging to …

A novel microemulsion phase transition: Toward the elucidation of third-phase formation in spent nuclear fuel reprocessing

J Mu, R Motokawa, K Akutsu, S Nishitsuji… - The Journal of …, 2018 - ACS Publications
We present evidence that the transition between organic and third phases, which can be
observed in the plutonium uranium reduction extraction (PUREX) process at high metal …

Network analysis and percolation transition in hydrogen bonded clusters: nitric acid and water extracted by tributyl phosphate

MJ Servis, DT Wu, JC Braley - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
Extraction of polar molecules by amphiphilic species results in a complex variety of clusters
whose topologies and energetics control phase behavior and efficiency of liquid–liquid …

Computational Study of Molecular Structure and Self-Association of Tri-n-butyl Phosphates in n-Dodecane

QN Vo, CA Hawkins, LX Dang, M Nilsson… - The Journal of …, 2015 - ACS Publications
Tri-n-butyl phosphate (TBP) is an important extractant used in the solvent extraction process
for recovering uranium and plutonium from used nuclear fuel. An atomistic molecular …