Molecular Dynamics Simulation of Prewetting | Zendy

Søren Toxværd | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Molecular Dynamics Simulation of Prewetting

Author(s) -

Søren Toxværd

Publication year - 2007

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/jp073665x

Subject(s) - triple point , phase diagram , molecular dynamics , condensation , materials science , lennard jones potential , surface (topology) , chemical physics , particle (ecology) , phase (matter) , phase transition , condensed matter physics , thermodynamics , chemistry , physics , computational chemistry , geometry , mathematics , organic chemistry , oceanography , geology

Large-scale molecular dynamics simulations are used to determine the phase diagram of a Lennard-Jones system with and without prewetting. The simulations show that the normal condensation in the homogeneous bulk system, in the case of an attractive solid surface, is extended with a single first-order prewetting phase transition to a fluid layer of a thickness that varies from only one fluid layer for a strong attractive surface to a film of three layers of particles in the case of a weaker prewetting surface. A particle-structured surface (face-centered cubic (111)) has only marginal impact on the prewetting transition. The new triple-point temperature is significantly lower than the triple-point temperature for the bulk system.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research