Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Jayant K. Singh"'
Autor:
Anitha Kommu, Jayant K. Singh
Publikováno v:
Soft Materials. 18:297-322
Graphene, a two-dimensional nanomaterial, is a promising material for desalination and purification of organic and inorganic pollutants in the aqueous system. This review illustrates recent advance...
Autor:
Jayant K. Singh, Atanu K. Metya
Publikováno v:
Molecular Simulation. 45:394-402
Ice formation causes numerous problems in many industrial fields as well as in our daily life. The control of ice nucleation and rational design of anti-icing surface with low ice adhesion are desi...
Autor:
Jayant K. Singh, Parul Katiyar
Publikováno v:
Molecular Physics. 116:2022-2031
In this study, the adsorption of nonionic surfactant, triethylene glycol monododecyl ether (C12E3), on a surface of silica nanoparticle (NP) has been studied with variation in the degree of ionisat...
Publikováno v:
Molecular Simulation. 41:414-422
We studied the structural and dynamical properties of methane and ethane in montmorillonite (MMT) slit pore of sizes 10, 20 and 30 A using grand canonical Monte Carlo and classical molecular dynamics (MD) simulations. The isotherm, at 298.15 K, is ge
Autor:
Sandip Khan, Jayant K. Singh
Publikováno v:
Molecular Simulation. 40:458-468
The crossover behaviour of water droplet's state from the Wenzel state to the Cassie state with varying pillar height and surface fraction is examined critically using molecular dynamics. We report the effect of the system size on the wetting behavio
Autor:
Jayant K. Singh, Sudhir K. Singh
Publikováno v:
Molecular Simulation. 39:154-159
Grand-canonical transition-matrix Monte Carlo simulation with histogram reweighting and finite-size scaling technique are used to calculate fourth-order Binder cumulant of order parameter along the vapour–liquid coexistence line to calculate the cr
Publikováno v:
Molecular Physics. 110:1241-1248
Surface phase transitions of Lennard–Jones (LJ) based two- and four-site associating fluids have been studied for various associating strengths using grand-canonical transition matrix Monte Carlo simulations. Our results suggest that, in the case o
Publikováno v:
Molecular Physics. 107:2189-2200
Molecular simulation methodologies are employed to study the first-order transition of variable square-well (SW) fluids on a wide range of weak attractive surfaces. Surface phase diagram of SW fluids of attractive well diameter λ ff = 1.5, 1.75, 2.0
Autor:
Jayant K. Singh
Publikováno v:
Molecular Simulation. 35:880-887
The vapour–liquid phase coexistence and surface tension of hard-core Yukawa fluids with short attraction range, λ = 8.0, 9.0 and 10.0, are reported using grand-canonical transition-matrix Monte Carlo (GC-TMMC) with the histogram reweighting method
Publikováno v:
Molecular Physics. 106:2417-2423
A modified Monte Carlo method combined with quenched molecular dynamics simulation is used to determine mixing energetics and concentration profiles at interface for systems containing mono-and bilayers of adatoms adsorbed on FCC (100) crystal surfac