Numerical treatment of Stokes solvent flow and solute-solvent interfacial dynamics for nonpolar molecules

DOI10.1007/S10915-015-0099-ZzbMath1381.76242OpenAlexW1907621947WikidataQ37041807 ScholiaQ37041807MaRDI QIDQ292570

David K. Moore, Hui Sun, Shenggao Zhou, Bo Li, Li-Tien Cheng

Publication date: 8 June 2016

Published in: Journal of Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10915-015-0099-z

zbMATH Keywords

ghost fluid methodlevel-set methodinterface motiontraction boundary conditionsStokes equationchange of volumenonpolar moleculessolute-solvent interface

Mathematics Subject Classification ID

Multiphase and multicomponent flows (76T99) Finite difference methods applied to problems in fluid mechanics (76M20) Stokes and related (Oseen, etc.) flows (76D07) Finite difference methods for boundary value problems involving PDEs (65N06) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Statistical mechanics of nanostructures and nanoparticles (82D80)

Related Items (2)

Numerical methods for solvent Stokes flow and solute-solvent interfacial dynamics of charged molecules ⋮ A Generalized Rayleigh--Plesset Equation for Ions with Solvent Fluctuations

Uses Software

• UMFPACK
• LS-VISM

Cites Work

• A semi-implicit augmented IIM for Navier-Stokes equations with open, traction, or free boundary conditions
• Level-set minimization of potential controlled Hadwiger valuations for molecular solvation
• Stability of a Cylindrical Solute-Solvent Interface: Effect of Geometry, Electrostatics, and Hydrodynamics
• Algorithm 832

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