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

JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS

卷:350

Article

Clavijo, S. P.¹  Sarmiento, A. F.²  Espath, L. F. R.³  Dalcin, L.⁴  Cortes, A. M. A.⁵  Calo, V. M.^1,6,7 

[1] Curtin Univ, Western Australian Sch Mines, Appl Geol, Fac Sci & Engn, Perth, WA 6845, Australia

[2] Grad Univ, Math Mech & Mat Unit, Okinawa Inst Sci & Technol, Onna, Okinawa 9040495, Japan

[3] King Abdullah Univ Sci & Technol, Comp Elect & Math Sci & Engn, Thuwal 239556900, Saudi Arabia

[4] King Abdullah Univ Sci & Technol, Extreme Comp Res Ctr, Thuwal 239556900, Saudi Arabia

[5] Univ Fed Rio de Janeiro, BR-21941 Rio De Janeiro, RJ, Brazil

[6] CSIRO, Mineral Resources, Kensington, NSW 6152, Australia

[7] Curtin Univ, Curtin Inst Computat, Perth, WA 6845, Australia

关键词: Multicomponent Cahn-Hilliard;    Chemical reactions;    Isogeometric analysis;    Spinodal decomposition;   

DOI  :  10.1016/j.cam.2018.10.007

来源: Elsevier

【 摘 要 】

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. (C) 2018 Elsevier B.V. All rights reserved.

【 授权许可】

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