Author pages are created from data sourced from our academic publisher partnerships and public sources.
- Publications
- Influence
Share This Author
New reference equation of state for associating liquids
- Walter G Chapman, K. Gubbins, G. Jackson, M. Radosz
- Physics
- 1 August 1990
An equation of state for associating liquids is presented as a sum of three Helmholtz energy terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere + dispersion), chain (increment due… Expand
Theory of molecular fluids
- C. Gray, K. Gubbins, C. Joslin
- Materials Science
- 1984
1. Thermodynamic Properties of Pure Fluids 2. Thermodynamic Properties of Mixtures 3. Surface Properties 4. Structure Factor 5. Dielectric Properties 6. Spectroscopic Properties
The Lennard-Jones equation of state revisited
- J. K. Johnson, J. Zollweg, K. Gubbins
- Chemistry
- 20 February 1993
We review the existing simulation data and equations of state for the Lennard-Jones (LJ) fluid, and present new simulation results for both the cut and shifted and the full LJ potential. New… Expand
Pore size distribution analysis of microporous carbons: a density functional theory approach
- C. Lastoskie, K. Gubbins, N. Quirke
- Chemistry
- 1 May 1993
We present an improved method, based upon density functional theory, for the determination of the pore size distribution (PSD) of porous sorbents. The adsorption isotherms predicted by nonlocal mean… Expand
SAFT: Equation-of-State Solution Model for Associating Fluids
- Walter G Chapman, K. Gubbins, G. Jackson, M. Radosz
- Chemistry
- 1 December 1989
An equation-of-state model has been developed for predicting phase equilibria, based on the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation data has been found to… Expand
Phase separation in confined systems
- L. Gelb, K. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak
- Physics
- 1 December 1999
We review the current state of knowledge of phase separation and phase equilibria in porous materials. Our emphasis is on fundamental studies of simple fluids (composed of small, neutral molecules)… Expand
Effects of confinement on freezing and melting.
- C. Alba-Simionesco, B. Coasne, +4 authors M. Sliwinska-Bartkowiak
- Chemistry, Medicine
- Journal of physics. Condensed matter : an…
- 23 January 2006
We present a review of experimental, theoretical, and molecular simulation studies of confinement effects on freezing and melting. We consider both simple and more complex adsorbates that are… Expand
A molecular dynamics study of liquid drops
- S. Thompson, K. Gubbins, J. Walton, R. Chantry, J. S. Rowlinson
- Chemistry
- 1 July 1984
We report molecular dynamics studies of small liquid drops (41–2004 molecules) in which the atoms interact with a Lennard‐Jones intermolecular potential cutoff at 2.5σ and shifted by the potential at… Expand
Water in porous carbons
- J. Brennan, T. Bandosz, K. T. Thomson, K. Gubbins
- Materials Science
- 31 August 2001
Abstract We present an overview of progress in understanding the behavior of water in porous carbons at the molecular level. We survey experimental investigations, semi-empirical approaches, and… Expand
Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics
- J. Palmer, A. Llobet, +4 authors K. Gubbins
- Materials Science
- 1 April 2010
We develop morphologically realistic models for amorphous carbon using quenched molecular dynamics. We show that as the thermal quench rate is decreased, the model structures become more highly… Expand
...
1
2
3
4
5
...