#### Filter Results:

#### Publication Year

2008

2015

#### Publication Type

#### Co-author

#### Publication Venue

Learn More

- Gaurav Goel, William P Krekelberg, +4 authors Thomas M Truskett
- 2009

Although classical density functional theory provides reliable predictions for the static properties of simple equilibrium fluids under confinement, a theory of comparative accuracy for the transport coefficients has yet to emerge. Nonetheless, there is evidence that knowledge of how confinement modifies static behavior can aid in forecasting dynamics.… (More)

- William P Krekelberg, Vincent K Shen, Jeffrey R Errington, Thomas M Truskett
- The Journal of chemical physics
- 2008

The residual multiparticle entropy (RMPE) of two- and three-dimensional fluids changes sign near the freezing line, providing a quasiuniversal "one-phase" rule for the location of the liquid-solid transition. We present new simulation results for d-dimensional hard-sphere fluids (d=1-5) which show, however, that this freezing criterion fails in other… (More)

- William P Krekelberg, Tanuj Kumar, Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett
- Physical review. E, Statistical, nonlinear, and…
- 2009

It is known that there are thermodynamic states for which the Gaussian-core fluid displays anomalous properties such as expansion upon isobaric cooling (density anomaly) and increased single-particle mobility upon isothermal compression (self-diffusivity anomaly). Here, we investigate how temperature and density affect its short-range translational… (More)

- William P Krekelberg, Mark J Pond, Gaurav Goel, Vincent K Shen, Jeffrey R Errington, Thomas M Truskett
- Physical review. E, Statistical, nonlinear, and…
- 2009

Rosenfeld [Phys. Rev. A 15, 2545 (1977)] originally noticed that casting the transport coefficients of simple monatomic equilibrium fluids in a specific dimensionless form makes them approximately single-valued functions of excess entropy. This observation has predictive value because, while the transport coefficients of dense fluids can be difficult to… (More)

- William P Krekelberg, Jeetain Mittal, Venkat Ganesan, Thomas M Truskett
- Physical review. E, Statistical, nonlinear, and…
- 2008

Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational order of fluids that exhibit anomalous waterlike trends in their thermodynamic and transport properties, while isochoric cooling (or strengthening of attractive interactions) can… (More)

- Gennady Y Gor, Daniel W Siderius, Christopher J Rasmussen, William P Krekelberg, Vincent K Shen, Noam Bernstein
- The Journal of chemical physics
- 2015

When a fluid is confined to a nanopore, its thermodynamic properties differ from the properties of a bulk fluid, so measuring such properties of the confined fluid can provide information about the pore sizes. Here, we report a simple relation between the pore size and isothermal compressibility of argon confined in such pores. Compressibility is calculated… (More)

- Jeffrey R. Errington, Athanassios Z. Panagiotopoulos, +5 authors J. R. Errington
- 2015

Research Topics: Molecular modeling of complex fluids, investigation of phase transitions, study of interfacial phenomena, development of novel molecular simulation methods, molecular understanding of aqueous solutions, examination of the link between thermodynamic and transport properties.

- ‹
- 1
- ›