Virtual Porous Carbons: What are they and what can they be used for

Mark James Biggs (1) , Alex V Buts (1)

1 IMP - Institute for Materials and Processes [Edinburgh]

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.

Mots clés: Physical Sciences

Mark James Biggs, Alex V Buts. Virtual Porous Carbons: What are they and what can they be used for. Molecular Simulation, 2006, 32 (07), pp.579-592. ⟨10.1080/08927020600836242⟩. ⟨hal-00514987⟩