Diffusion of finite-size particles in two-dimensional channels with random wall configurations
- Diffusion of chemicals or tracer molecules through complex systems containing irregularly shaped channels is important in many applications. Most theoretical studies based on the famed Fick-Jacobs equation focus on the idealised case of infinitely small particles and reflecting boundaries. In this study we use numerical simulations to consider the transport of finite-size particles through asymmetrical two-dimensional channels. Additionally, we examine transient binding of the molecules to the channel walls by applying sticky boundary conditions. We consider an ensemble of particles diffusing in independent channels, which are characterised by common structural parameters. We compare our results for the long-time effective diffusion coefficient with a recent theoretical formula obtained by Dagdug and Pineda
| Author details: | Maximilian Bauer, Aljaz Godec, Ralf MetzlerORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1039/c3cp55160a |
| ISSN: | 1463-9076 |
| ISSN: | 1463-9084 |
| Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/24556939 |
| Title of parent work (English): | Physical chemistry, chemical physics : a journal of European Chemical Societies |
| Publisher: | Royal Society of Chemistry |
| Place of publishing: | Cambridge |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2014 |
| Publication year: | 2014 |
| Release date: | 2017/03/27 |
| Volume: | 16 |
| Issue: | 13 |
| Number of pages: | 11 |
| First page: | 6118 |
| Last Page: | 6128 |
| Funding institution: | German Federal Ministry for Education and Research; Academy of Finland within the FiDiPro scheme |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer review: | Referiert |
