Virtual porous carbons: What they are and what they can be used for

M. J. Biggs, A. Buts

Research output: Contribution to journalArticlepeer-review

55 Citations (Scopus)

Abstract

We use the term "virtual porous carbon" (VPC) to describe computer-based molecular models of nanoporous carbons that go beyond the ubiquitous slit pore model and seek to engage with the geometric, topological and chemical heterogeneity that characterises almost every form of nanoporous carbon. A small number of these models have been developed and used since the early 1990s. These models and their use are reviewed. Included are three more detailed examples of the use of our VPC model. The first is concerned with the study of solid-like adsorbate in nanoporous carbons, the second with the absolute assessment of multi-isotherm based methods for determining the fractal dimension, and the final one is concerned with the fundamental study of diffusion in nanoporous carbons.

Original languageEnglish
Pages (from-to)579-593
Number of pages15
JournalMolecular Simulation
Volume32
Issue number7
DOIs
Publication statusPublished - 2006

Keywords

  • Adsorption
  • Anomalous diffusion
  • Elevated freezing
  • Microporous carbons
  • Nanoporous solids

ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Modelling and Simulation
  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics

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