Computational physics in petrochemical industry

Adsorption Surface Area and Porosity

1967 • 9,416 citations

Adsorption surface area and porosity

1983 • 7,959 citations

Optimized intermolecular potential functions for liquid hydrocarbons

1984 • 2,198 citations

Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

2002 • 1,664 citations

Configurational bias Monte Carlo: a new sampling scheme for flexible chains

1992 • 1,090 citations

Monte Carlo Calculation of the Average Extension of Molecular Chains

1955 • 1,047 citations

New developments in Zeolite Science and Technology

1987 • 588 citations

Computer simulations of vapor–liquid phase equilibria of n-alkanes

1995 • 492 citations

Simulating the critical behaviour of complex fluids

1993 • 465 citations

Novel scheme to study structural and thermal properties of continuously deformable molecules

1992 • 455 citations

Computer Simulation in Chemical Physics

1993 • 455 citations

Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications

1989 • 439 citations

Simulation of polyethylene above and below the melting point

1992 • 369 citations

Molecular simulation of methane and butane in silicalite

1991 • 282 citations

Molecular dynamics calculation of the equation of state of alkanes

1990 • 274 citations

Modelling of structure and reactivity in zeolites

1995 • 255 citations

Commensurate ‘freezing’ of alkanes in the channels of a zeolite

1995 • 246 citations

Molecular dynamics studies of butane and hexane in silicalite

1992 • 235 citations

Simulation of phase equilibria for chain molecules

1992 • 229 citations

Adsorption equilibria of hydrocarbons on highly dealuminated zeolites

1986 • 224 citations

Computer Simulations of the Energetics and Siting of n-Alkanes in Zeolites

1994 • 223 citations

Direct simulation of phase equilibria of chain molecules

1992 • 207 citations

Grand canonical Monte Carlo simulations of chain molecules: adsorption isotherms of alkanes in zeolites

1995 • 204 citations

Phase separation in binary hard-core mixtures

1994 • 155 citations

Sorption Thermodynamics, Siting, and Conformation of Long n-Alkanes in Silicalite As Predicted by Configurational-Bias Monte Carlo Integration

1995 • 148 citations

A lattice model of a supported monolayer of amphiphile molecules: Monte Carlo simulations

1988 • 139 citations

Sorption and packing of n-alkane molecules in ZSM-5

1987 • 136 citations

Solid Acid Catalysts

1992 • 129 citations

Simulating the Adsorption of Alkanes in Zeolites

1994 • 128 citations

Evidence for entropy-driven demixing in hard-core fluids

1994 • 126 citations

Numerical study of the phase diagram of a mixture of spherical and rodlike colloids

1994 • 126 citations

Monte Carlo calculation of phase equilibria for a bead-spring polymeric model

1994 • 117 citations

Parallel Monte Carlo simulations

1995 • 117 citations

Quaternary, ternary, binary, and pure component sorption on zeolites. 1. Light alkanes on Linde S-115 silicalite at moderate to high pressures

1990 • 115 citations

Mobility of adsorbed species in zeolites: a molecular dynamics simulation of xenon in silicalite

1990 • 113 citations

Critical constants of normal alkanes from methane to polyethylene

1987 • 108 citations

Adsorption site heterogeneity in silicalite: a calorimetric study

1987 • 108 citations

The critical temperatures and densities of the n-alkanes from pentane to octadecane

1990 • 102 citations

The Critical Constants of Normal Alkanes From Methane to Polyethylene

1993 • 78 citations

Mobility of adsorbed species in zeolites: methane, ethane, and propane diffusivities

1991 • 71 citations

Chromatographic study of alkanes in silicalite: Equilibrium properties

1993 • 68 citations

Statistical properties of biased sampling methods for long polymer chains

1988 • 61 citations

Commensurate Freezing of n‐Alkanes in Silicalite

1995 • 57 citations

Monte Carlo study of the properties of self-assembled monolayers formed by adsorption of CH₃(CH₂)₁₅SH on the (111) surface of gold

1993 • 52 citations

Molecular dynamics simulations of n-butane and n-hexane diffusion in silicalite

1995 • 49 citations

Computer Simulation of Polymers

1993 • 41 citations

Parallel Gibbs-ensemble simulations

1995 • 25 citations

A configuration bias Monte Carlo method for ionic solutions

1994 • 24 citations

Computer simulation in chemical physics, NATO ASI Series C

1993 • 24 citations

Sieving Properties of Zeolites for C6-C8 Hydrocarbons. I. A Statistical Perturbation Theory Monte-Carlo Study

1995 • 14 citations

Computer Simulations in the Gibbs Ensemble

1993 • 5 citations

Isostere Adsorptionsuntersuchungen von n-Decan an Silicalit

1984 • 4 citations