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Output details

13 - Electrical and Electronic Engineering, Metallurgy and Materials

University of Surrey

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Output 25 of 311 in the submission

Article title

A Pore Network Model for Diffusion in Nanoporous Carbons: Validation by Molecular Dynamics Simulation

Type

D - Journal article

DOI

10.1016/j.ces.2008.03.032

Title of journal

Chemical Engineering Science

Article number

Volume number

Issue number

First page of article

3319

ISSN of journal

0009-2509

Year of publication

2008

URL

Number of additional authors

Additional information

This paper presents a hybrid molecular dynamics simulation /pore network model (MD/PNM) approach for predicting diffusion in nanoporous carbons, taking both geometrical and topological characteristics into account. The model provides an explicit link between the diffusion coefficient and hypothetical changes in material properties. This approach is computationally fast, and related to the structure of the real material. The approach was tested and validated, demonstrating applicability in industry for materials design.

Interdisciplinary

Cross-referral requested

Research group

None

Proposed double-weighted

Double-weighted statement

Reserve for a double-weighted output

Non-English

English abstract