Vapour–Liquid Equilibrium for N, N-Dimethylformamide + Benzene + Thiophene via Gibbs Ensemble Molecular Simulation
Sign Up to like & getrecommendations! Published in 2017 at "Transactions of Tianjin University"
DOI: 10.1007/s12209-016-0024-z
Abstract: The selection and design of an optimal solvent for extractive distillation require reliable vapour–liquid phase equilibrium data and knowledge of extraction mechanisms. Compared with time-consuming experiments, molecular simulation presents great potential in research on the… read more here.
Keywords: phase; benzene thiophene; vapour liquid; benzene ... See more keywords
Vapour–liquid interfacial properties of n-alkanes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.10.059
Abstract: Abstract The vapour–liquid interfacial properties of linear alkanes (n-hexane, n-heptane, n-octane, n-nonane, and n-decane) were studied via the square gradient theory (SGT) and by molecular dynamics (MD) simulations. The objectives were the determination of interfacial… read more here.
Keywords: interfacial properties; liquid interfacial; density profiles; density ... See more keywords
Vapour-liquid critical parameters of a 2:1 primitive model of ionic fluids confined in disordered porous media
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.12.033
Abstract: Abstract We study the vapour-liquid critical parameters of an ionic fluid confined in a disordered porous medium by using the theory which combines the collective variables approach with an extension of the scaled particle theory.… read more here.
Keywords: primitive model; critical parameters; confined disordered; disordered porous ... See more keywords
Vapour–liquid phase equilibrium and surface tension of fully flexible Lennard–Jones chains
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Physics"
DOI: 10.1080/00268976.2016.1262075
Abstract: ABSTRACT We report measurements of the vapour–liquid coexistence densities and surface tension of fully flexible Lennard–Jones chain molecules ranging in length from 4 to 60 beads. We demonstrate that the surface tension for all chain… read more here.
Keywords: fully flexible; surface tension; tension fully; tension ... See more keywords
A New Metaheuristic Inspired by the Vapour-Liquid Equilibrium for Continuous Optimization
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DOI: 10.3390/app8112080
Abstract: In this article, a novel optimization metaheuristic based on the vapour-liquid equilibrium is described to solve highly nonlinear optimization problems in continuous domains. During the search for the optimum, the procedure truly simulates the vapour-liquid… read more here.
Keywords: equilibrium; optimization; new metaheuristic; liquid equilibrium ... See more keywords
Vapour Liquid Solid Growth Effects on InGaN Epilayers Composition Uniformity in Presence of Metal Droplets
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DOI: 10.3390/nano12213887
Abstract: We investigated the composition uniformity of InGaN epilayers in presence of metal droplets on the surface. We used Plasma Assisted MBE to grow an InGaN sample partially covered by metal droplets and performed structural and… read more here.
Keywords: composition uniformity; presence metal; liquid solid; metal droplets ... See more keywords