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Phase transition under confinement

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

In this chapter, we focus on advanced Monte Carlo and molecular dynamics techniques to study vapour-liquid phase equilibria, cross-over behaviour of critical properties and solid-liquid phase transition under confinement. The state of the art in the field is demonstrated by reviewing selected results of our recent computer simulations. We present Monte Carlo studies of cross-over behaviour of critical properties, in different geometries, from 3D to 2D. In the second part of the chapter, we list various issues pertaining to the study of solid-liquid transitions under confinement in the context of lubrication at the nanoscale. We also provide recent molecular dynamics results which provide more clarity in understanding the effect of surface texture on the solid structure of confined fluids. We end the chapter with an introduction to analysis and techniques to evaluate liquid-solid phase transitions and structure formation in cylindrical pores.
Original languageEnglish
Title of host publicationComputational Nanoscience
PublisherRoyal Society of Chemistry
Pages82-108
Number of pages27
ISBN (Electronic)9781849732680
ISBN (Print)9781849731331
DOIs
Publication statusPublished - 21 Jun 2011

ASJC Scopus subject areas

  • General Chemistry
  • Computer Science Applications

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