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Title: Lattice Boltzmann method for diffusion-limited partial dissolution of fluids

Abstract

A lattice Boltzmann model for two partially miscible fluids is developed. By partially miscible, we mean that although there is a definite interfacial region separating the two fluids with a surface tension force acting at all points of the transition region, each fluid can nonetheless accept molecules from the other fluid up to a set solubility limit. We allow each fluid to diffuse into the other with the solubility and diffusivity in each fluid being input parameters. The approach is to define two regions within the fluid. One interfacial region having finite width, across which most of the concentration change occurs, and in which a surface tension force and color separation step are allowed for. And one miscible fluid region where the concentration of the binary fluids follows an advection-diffusion equation and the mixture as a whole obeys the Navier-Stokes incompressible flow equations. Numerical examples are presented in which the algorithm produces results that are quantitatively compared to exact analytical results as well as qualitatively examined for their reasonableness. The model has the ability to simulate how bubbles of one fluid flow through another while dissolving their contents as well as to a range of practical invasion problems such asmore » injecting supercritical CO2 into a porous material saturated with water for sequestration purposes.« less

Authors:
 [1];  [2]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); IRIS AS, Stavanger (Norway)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Nanoscale Control of Geologic CO2 (NCGC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1370612
Alternate Identifier(s):
OSTI ID: 1193519
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 1; Related Information: NCGC partners with Lawrence Berkeley National Laboratory (lead); University of California, Davis; Lawrence Livermore National Laboratory; Massachusetts Institute of Technology; Ohio State University; Oak Ridge National Laboratory; Washington University, St. Louis; Journal ID: ISSN 1539-3755
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; bio-inspired; mechanical behavior; carbon sequestration

Citation Formats

Aursjø, Olav, and Pride, Steven R. Lattice Boltzmann method for diffusion-limited partial dissolution of fluids. United States: N. p., 2015. Web. doi:10.1103/PhysRevE.92.013306.
Aursjø, Olav, & Pride, Steven R. Lattice Boltzmann method for diffusion-limited partial dissolution of fluids. United States. https://doi.org/10.1103/PhysRevE.92.013306
Aursjø, Olav, and Pride, Steven R. Fri . "Lattice Boltzmann method for diffusion-limited partial dissolution of fluids". United States. https://doi.org/10.1103/PhysRevE.92.013306. https://www.osti.gov/servlets/purl/1370612.
@article{osti_1370612,
title = {Lattice Boltzmann method for diffusion-limited partial dissolution of fluids},
author = {Aursjø, Olav and Pride, Steven R.},
abstractNote = {A lattice Boltzmann model for two partially miscible fluids is developed. By partially miscible, we mean that although there is a definite interfacial region separating the two fluids with a surface tension force acting at all points of the transition region, each fluid can nonetheless accept molecules from the other fluid up to a set solubility limit. We allow each fluid to diffuse into the other with the solubility and diffusivity in each fluid being input parameters. The approach is to define two regions within the fluid. One interfacial region having finite width, across which most of the concentration change occurs, and in which a surface tension force and color separation step are allowed for. And one miscible fluid region where the concentration of the binary fluids follows an advection-diffusion equation and the mixture as a whole obeys the Navier-Stokes incompressible flow equations. Numerical examples are presented in which the algorithm produces results that are quantitatively compared to exact analytical results as well as qualitatively examined for their reasonableness. The model has the ability to simulate how bubbles of one fluid flow through another while dissolving their contents as well as to a range of practical invasion problems such as injecting supercritical CO2 into a porous material saturated with water for sequestration purposes.},
doi = {10.1103/PhysRevE.92.013306},
journal = {Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics},
number = 1,
volume = 92,
place = {United States},
year = {Fri Jul 10 00:00:00 EDT 2015},
month = {Fri Jul 10 00:00:00 EDT 2015}
}

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Cited by: 6 works
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Works referenced in this record:

Lattice Boltzmann methods for binary mixtures with different molecular weights
journal, April 2005


Transport phenomena and microscopic structure in partially miscible binary fluids: A simulation study of the symmetrical Lennard-Jones mixture
journal, July 2003

  • Das, Subir K.; Horbach, Jürgen; Binder, Kurt
  • The Journal of Chemical Physics, Vol. 119, Issue 3
  • DOI: 10.1063/1.1580106

Theory of phase-ordering kinetics
journal, June 1994


Lattice Boltzmann simulation of a binary fluid with different phase viscosities and its application to fingering in two dimensions
journal, April 2000

  • Langaas, K.; Yeomans, J. M.
  • The European Physical Journal B, Vol. 15, Issue 1
  • DOI: 10.1007/s100510051107

Thermodynamic and Dynamic Interfacial Properties of Binary Carbon Dioxide−Water Systems
journal, February 2004

  • Tewes, Frédéric; Boury, Frank
  • The Journal of Physical Chemistry B, Vol. 108, Issue 7
  • DOI: 10.1021/jp030895c

Lattice-Boltzmann simulations of droplet evaporation
journal, January 2014

  • Ledesma-Aguilar, Rodrigo; Vella, Dominic; Yeomans, Julia M.
  • Soft Matter, Vol. 10, Issue 41
  • DOI: 10.1039/C4SM01291G

Three-dimensional lattice Boltzmann simulations of droplet formation in a cross-junction microchannel
journal, September 2008


Lattice Boltzmann simulation of the rise and dissolution of two-dimensional immiscible droplets
journal, October 2009

  • Chen, Cheng; Zhang, Dongxiao
  • Physics of Fluids, Vol. 21, Issue 10
  • DOI: 10.1063/1.3253385

Two-color nonlinear Boltzmann cellular automata: Surface tension and wetting
journal, April 1995


Lattice Boltzmann simulations of liquid-gas and binary fluid systems
journal, November 1996


Viscosity of liquid mixtures
journal, September 1971

  • Bloomfield, Victor A.; Dewan, R. K.
  • The Journal of Physical Chemistry, Vol. 75, Issue 20
  • DOI: 10.1021/j100689a014

Discrete lattice effects on the forcing term in the lattice Boltzmann method
journal, April 2002


The Origin of Spurious Velocities in Lattice Boltzmann
journal, January 2003


Static contact angle in lattice Boltzmann models of immiscible fluids
journal, October 2005


Lattice Bhatnagar-Gross-Krook models for miscible fluids
journal, June 1993


Interdiffusion in binary polymer mixtures
journal, September 1993


Interpolated lattice Boltzmann boundary conditions for surface reaction kinetics
journal, December 2010


Direct Numerical Simulation of Free-Surface and Interfacial flow
journal, January 1999


Multicomponent lattice-Boltzmann model with interparticle interaction
journal, October 1995

  • Shan, Xiaowen; Doolen, Gary
  • Journal of Statistical Physics, Vol. 81, Issue 1-2
  • DOI: 10.1007/BF02179985

The lattice Boltzmann advection-diffusion model revisited
journal, April 2009

  • Chopard, B.; Falcone, J. L.; Latt, J.
  • The European Physical Journal Special Topics, Vol. 171, Issue 1
  • DOI: 10.1140/epjst/e2009-01035-5

Interfacial Tension at Elevated PressuresMeasurements and Correlations in the Water + Carbon Dioxide System
journal, November 2002

  • Hebach, Andreas; Oberhof, Alexander; Dahmen, Nicolaus
  • Journal of Chemical & Engineering Data, Vol. 47, Issue 6
  • DOI: 10.1021/je025569p

A continuum method for modeling surface tension
journal, June 1992


Diffusion properties of gradient-based lattice Boltzmann models of immiscible fluids
journal, May 2005


Oscillation-induced displacement patterns in a two-dimensional porous medium: A lattice Boltzmann study
journal, August 2010


Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: A molecular dynamics simulation
journal, April 1999

  • Dı́az-Herrera, Enrique; Alejandre, José; Ramı́rez-Santiago, Guillermo
  • The Journal of Chemical Physics, Vol. 110, Issue 16
  • DOI: 10.1063/1.478710

LUDWIG: A parallel Lattice-Boltzmann code for complex fluids
journal, March 2001

  • Desplat, Jean-Christophe; Pagonabarraga, Ignacio; Bladon, Peter
  • Computer Physics Communications, Vol. 134, Issue 3
  • DOI: 10.1016/S0010-4655(00)00205-8

Free Energy of a Nonuniform System. I. Interfacial Free Energy
journal, February 1958

  • Cahn, John W.; Hilliard, John E.
  • The Journal of Chemical Physics, Vol. 28, Issue 2
  • DOI: 10.1063/1.1744102

Critical behavior and partial miscibility phenomena in binary mixtures of hydrocarbons by the statistical associating fluid theory
journal, November 1998

  • Blas, Felipe J.; Vega, Lourdes F.
  • The Journal of Chemical Physics, Vol. 109, Issue 17
  • DOI: 10.1063/1.477363

Works referencing / citing this record:

On the inclusion of mass source terms in a single-relaxation-time lattice Boltzmann method
journal, May 2018

  • Aursjø, Olav; Jettestuen, Espen; Vinningland, Jan Ludvig
  • Physics of Fluids, Vol. 30, Issue 5
  • DOI: 10.1063/1.5024641