Works (3)
Updated: July 5th, 2023 15:57
2006 journal article
Mesoscale modeling of complex binary fluid mixtures: Towards an atomistic foundation of effective potentials
JOURNAL OF CHEMICAL PHYSICS, 124(7).
TL;DR:
This paper investigates ways to extract from equilibrium molecular-dynamics simulations of a fully atomistic model of binary mixtures of water and ethanol effective, pairwise additive potentials suitable to describe the interactions between coarse-grained molecules in corresponding mesoscale dissipative particle-dynamic simulations.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2005 journal article
Coarse-grained potentials from Widom's particle insertion method
MOLECULAR PHYSICS, 103(21-23), 3185–3193.
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
16. Peace, Justice and Strong Institutions
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018
2005 journal article
Cosurfactant and cosolvent effects on surfactant self-assembly in supercritical carbon dioxide
JOURNAL OF CHEMICAL PHYSICS, 122(9).
TL;DR:
The impact of alcohol additives on the self-assembly of surfactants in supercritical carbon dioxide is investigated using lattice Monte Carlo simulations, observing that all studied (model) alcohols reduce the critical micelle concentration and short-chain alcohols act as cosurfactants, directly influencing the properties of the aggregates.
(via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018