Imperial College London
Alternate

ProfessorSerafimKalliadasis

Faculty of Engineering, Department of Chemical Engineering

Prof in Engineering Science & Applied Mathematics
 
 
 
//

Contact

 

+44 (0)20 7594 1373s.kalliadasis Website

 
 
//

Assistant

 

Miss Jessica Baldock +44 (0)20 7594 5699

 
//

Location

 

516ACE ExtensionSouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@inproceedings{Yatsyshin:2018:10.1007/978-3-319-76599-0_10,
author = {Yatsyshin, P and Kalliadasis, S},
doi = {10.1007/978-3-319-76599-0_10},
pages = {171--185},
publisher = {Springer},
title = {Classical density-functional theory studies of fluid adsorption on nanopatterned planar surfaces},
url = {http://dx.doi.org/10.1007/978-3-319-76599-0_10},
year = {2018}
}
Download

RIS format (EndNote, RefMan)

TY  - CPAPER
AB  - This contribution is based on our talk at the BIRS Workshop on “Coupled Mathematical Models for Physical and Biological Nanoscale Systems and Their Applications”. Our aim here is to summarize and bring together recent advances in wetting of nanostructured surfaces, using classical density-functional theory (DFT). Classical DFT is an ab initio theoretical-computational framework with a firm foundation in statistical physics allowing us to systematically account for the fluid spatial inhomogeneity, as well as for the non-localities of intermolecular fluid-fluid and fluid-substrate interactions. The cornerstone of classical DFT, is to express the grand free energy of the system as a functional of its one-body density, thus generating a hierarchy of N-body correlation functions. Unconstrained minimization of a properly approximated free-energy functional with respect to the one-body density then yields the basic DFT equation. And since most macroscopic quantities of interest can often be cast as averages over a one-body distribution, this equation provides a very useful and accessible computational tool. Indeed, there has been a rapid growth of classical DFT applications across a broad variety of fields, including phase transitions in solutions of macromolecules, interfacial phenomena, and even nucleation. Here we attempt to give a taste of what simple equilibrium DFT models look like, and what they can and cannot capture, as far as wetting on chemically heterogeneous substrates is concerned. We review recent progress in the understanding of planar prewetting and interface unbending on such substrates and compute substrate-fluid interfaces and wetting isotherms.
AU  - Yatsyshin,P
AU  - Kalliadasis,S
DO  - 10.1007/978-3-319-76599-0_10
EP  - 185
PB  - Springer
PY  - 2018///
SP  - 171
TI  - Classical density-functional theory studies of fluid adsorption on nanopatterned planar surfaces
UR  - http://dx.doi.org/10.1007/978-3-319-76599-0_10
UR  - https://link.springer.com/chapter/10.1007%2F978-3-319-76599-0_10
UR  - http://hdl.handle.net/10044/1/74081
ER  -
Download