Finite-size effects in dissipative particle dynamics simulations

The Journal of Chemical Physics
María Eugenia VelázquezJosé Alejandre

Abstract

We have performed dissipative particle dynamics (DPD) simulations to evaluate the effect that finite size of transversal area has on stress anisotropy and interfacial tension. The simulations were carried out in one phase and two phases in parallelepiped cells. In one-phase simulations there is no finite-size effect on stress anisotropy when the simulation is performed using repulsive forces. However, an oscillatory function of stress anisotropy is found for attractive-repulsive interactions. In the case of liquid-liquid interfaces with repulsive interaction between molecules, there is only a small effect of surface area on interfacial tension when the simulations are performed using the Monte Carlo method at constant temperature and normal pressure. An important but artificial finite-size effect of interfacial area on surface tension is found in simulations in the canonical ensemble. Reliable results of interfacial tension from DPD simulations can be obtained using small systems, less than 2000 particles, when they interact exclusively with repulsive forces.

References

Feb 3, 2004·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·P B Warren
Apr 20, 2005·The Journal of Chemical Physics·Minerva González-MelchorJosé Alejandre
Jan 6, 2006·The Journal of Chemical Physics·Pedro OreaJosé Alejandre

❮ Previous
Next ❯

Citations

Dec 21, 2006·The Journal of Chemical Physics·Minerva González-MelchorJosé Alejandre
Jan 19, 2010·The Journal of Chemical Physics·José Alejandre, Gustavo A Chapela
Jan 11, 2007·The Journal of Chemical Physics·Lianghui GaoReinhard Lipowsky
Dec 19, 2014·The Journal of Physical Chemistry. B·Ammu PrhashannaShing Bor Chen
Jun 22, 2007·The Journal of Chemical Physics·José AlejandreFernando del Río
Jan 9, 2016·Chemical Society Reviews·Aziz GhoufiDominic J Tildesley
Apr 15, 2019·The Journal of Chemical Physics·José L Rivera, Jack F Douglas
Sep 28, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·A Ghoufi, P Malfreyt
May 12, 2010·The Journal of Physical Chemistry. B·Linli HeHaojun Liang
Apr 7, 2018·Journal of Chemical Theory and Computation·Florent GoujonPatrice Malfreyt

❮ Previous
Next ❯

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

The Journal of Chemical Physics
José AlejandreFernando del Río
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Aziz Ghoufi, Patrice Malfreyt
The Journal of Chemical Physics
S Y TrofimovM A J Michels
The Journal of Chemical Physics
Pedro OreaJosé Alejandre
© 2021 Meta ULC. All rights reserved