Some estimates of the surface tension of curved surfaces using density functional theory

The Journal of Chemical Physics
Jonathan C Barrett

Abstract

Density functional theory is used to calculate the surface tension of planar and slightly curved surfaces, which can be written as gamma(R)=gamma(infinity)(1-2delta(infinity)R), where R is the radius of curvature of the surface. Calculations are performed for a Lennard-Jones fluid, split into a hard-sphere repulsive potential and an attractive part. The repulsive part is treated using the local density approximation. The attractive part is treated using a high temperature approximation (HTA) in which the pair correlation function is approximated by the Percus-Yevick pair correlation function of a uniform hard-sphere fluid evaluated at a position-dependent average density. An expression relating the Tolman length delta(infinity) to the density profile of the planar surface is derived. Numerical results are presented for the planar surface tension gamma(infinity) and for delta(infinity) and are compared with those using mean field theory (MFT) and with those using the square-gradient approximation. Values for gamma(infinity) using the HTA are 30%-40% higher than those using MFT. Values for delta(infinity) using the HTA are around -0.1 (in units of the Lennard-Jones parameter sigma) and only weakly dependent on temperature. These ...Continue Reading

References

Jan 1, 1993·Environmental Pollution·R J Gibbs
Jul 23, 2004·The Journal of Chemical Physics·Jonathan C Barrett

❮ Previous
Next ❯

Citations

Oct 26, 2010·The Journal of Chemical Physics·Benjamin J BlockKurt Binder
Nov 10, 2009·The Journal of Chemical Physics·Alan E van Giessen, Edgar M Blokhuis
Feb 16, 2015·The Journal of Chemical Physics·Øivind WilhelmsenDavid Reguera
May 4, 2013·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Edgar M Blokhuis, Alan E van Giessen
Dec 3, 2016·The Journal of Chemical Physics·Christoph E SittaHartmut Löwen
Apr 24, 2017·The Journal of Chemical Physics·M H Motevaselian, N R Aluru
Feb 15, 2020·Physical Review Letters·Ailo AasenØivind Wilhelmsen
Nov 21, 2020·Physical Review. E·S M TschoppJ M Brader
Nov 7, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Paho Lurie-GreggDavid Roundy
Jan 17, 2012·Physical Review Letters·A Tröster, K Binder
Mar 27, 2009·The Journal of Physical Chemistry. B·Gyula I Tóth, László Gránásy
Dec 19, 2013·The Journal of Physical Chemistry Letters·Mark N JoswiakBaron Peters
Dec 9, 2017·The Journal of Physical Chemistry. B·Andreas TrösterKurt Binder

❮ 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.