Reactive n-species Cahn–Hilliard system: A thermodynamically-consistent model for reversible chemical reactions

Clavijo, S.P.; Sarmiento, A.F.; Espath, L.F.R.; Dalcin, L.; Cortes, A.M.A.; Calo, V.M.

Abstract

We introduce a multicomponent Cahn–Hilliard system with multiple reversible chemical reactions. We derive the conservation laws of the multicomponent system within the thermodynamical constraints. Furthermore, we consider multiple chemical reactions based on the mass action law. This coupling reproduces phase separation under spinodal decomposition as a chemical reaction between the species takes place. Finally, we perform a numerical simulation to show the robustness of the model as well as the resulting patterns.

Citation

Clavijo, S., Sarmiento, A., Espath, L., Dalcin, L., Cortes, A., & Calo, V. (2019). Reactive n-species Cahn–Hilliard system: A thermodynamically-consistent model for reversible chemical reactions. Journal of Computational and Applied Mathematics, 350, 143-154. https://doi.org/10.1016/j.cam.2018.10.007

• Journal Article Type: Article
• Online Publication Date: Oct 21, 2018
• Publication Date: 2019-04
• Deposit Date: Aug 1, 2023
• Publicly Available Date: Aug 2, 2023
• Journal: Journal of Computational and Applied Mathematics
• Print ISSN: 0377-0427
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 350
• Pages: 143-154
• DOI: https://doi.org/10.1016/j.cam.2018.10.007
• Keywords: Applied Mathematics; Computational Mathematics
• Public URL: https://nottingham-repository.worktribe.com/output/22186714
• Publisher URL: https://www.sciencedirect.com/science/article/pii/S0377042718306083?via%3Dihub