scholarly journals Variational Implicit Solvation with Solute Molecular Mechanics: From Diffuse-Interface to Sharp-Interface Models

2013 ◽  
Vol 73 (1) ◽  
pp. 1-23 ◽  
Author(s):  
Bo Li ◽  
Yanxiang Zhao
Keyword(s):  
Molecular Mechanics ◽  
Sharp Interface ◽  
Diffuse Interface ◽  
Implicit Solvation ◽  
Interface Models ◽  
Sharp Interface Models

scholarly journals THERMODYNAMICALLY CONSISTENT, FRAME INDIFFERENT DIFFUSE INTERFACE MODELS FOR INCOMPRESSIBLE TWO-PHASE FLOWS WITH DIFFERENT DENSITIES

2012 ◽  
Vol 22 (03) ◽  
pp. 1150013 ◽  
Author(s):  
HELMUT ABELS ◽  
HARALD GARCKE ◽  
GÜNTHER GRÜN
Keyword(s):  
Surface Diffusion ◽  
Sharp Interface ◽  
Diffuse Interface ◽  
Momentum Balance ◽  
Two Phase ◽  
Interface Models ◽  
Natural Energy ◽  
Soluble Species ◽  
Sharp Interface Models ◽  
Dissipation Inequalities

A new diffuse interface model for a two-phase flow of two incompressible fluids with different densities is introduced using methods from rational continuum mechanics. The model fulfills local and global dissipation inequalities and is frame indifferent. Moreover, it is generalized to situations with a soluble species. Using the method of matched asymptotic expansions we derive various sharp interface models in the limit when the interfacial thickness tends to zero. Depending on the scaling of the mobility in the diffusion equation, we either derive classical sharp interface models or models where bulk or surface diffusion is possible in the limit. In the latter case a new term resulting from surface diffusion appears in the momentum balance at the interface. Finally, we show that all sharp interface models fulfill natural energy inequalities.

An Evaluation of Sharp Interface Models for CO2-Brine Displacement in Aquifers

Ground Water ◽  
2015 ◽  
Vol 54 (3) ◽  
pp. 336-344 ◽  
Author(s):  
Michael J. Swickrath ◽  
Srikanta Mishra ◽  
Priya Ravi Ganesh
Keyword(s):  
Sharp Interface ◽  
Interface Models ◽  
Sharp Interface Models

Sharp-interface limit of the Cahn–Hilliard model for moving contact lines

2010 ◽  
Vol 645 ◽  
pp. 279-294 ◽  
Author(s):  
PENGTAO YUE ◽  
CHUNFENG ZHOU ◽  
JAMES J. FENG
Keyword(s):  
Contact Line ◽  
Diffusion Length ◽  
Slip Length ◽  
Sharp Interface ◽  
Diffuse Interface ◽  
Contact Lines ◽  
Sharp Interface Limit ◽  
Interface Models ◽  
Moving Contact ◽  
Moving Contact Lines

Diffuse-interface models may be used to compute moving contact lines because the Cahn–Hilliard diffusion regularizes the singularity at the contact line. This paper investigates the basic questions underlying this approach. Through scaling arguments and numerical computations, we demonstrate that the Cahn–Hilliard model approaches a sharp-interface limit when the interfacial thickness is reduced below a threshold while other parameters are fixed. In this limit, the contact line has a diffusion length that is related to the slip length in sharp-interface models. Based on the numerical results, we propose a criterion for attaining the sharp-interface limit in computing moving contact lines.

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