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Title: Simulations of reactive transport and precipitation with smoothed particle hydrodynamics

Abstract

A numerical model based on smoothed particle hydrodynamics (SPH) for reactive transport and mineral precipitation in fractured and porous materials was developed. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: i) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that SPH allows accurate solution of momentum dominated flows; ii) complicated physical and chemical processes such as surface growth due to precipitation/ dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions and the Lattice Boltzmann simulations of Kang et al [12]. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with complex geometry were simulated.

Authors:
; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
901176
Report Number(s):
PNNL-SA-46816
Journal ID: ISSN 0021-9991; JCTPAH; TRN: US200713%%80
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Computational Physics, 222(2):654-672; Journal Volume: 222; Journal Issue: 2
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; MATHEMATICAL MODELS; HYDRODYNAMICS; ENVIRONMENTAL TRANSPORT; MINERALS; PRECIPITATION; POROUS MATERIALS; FRACTURED RESERVOIRS; smoothed particle hydrodynamics, miscible flow, reactive transport, mineral precipitation, fractures

Citation Formats

Tartakovsky, Alexandre M., Meakin, Paul, Scheibe, Timothy D., and Eichler West, Rogene M. Simulations of reactive transport and precipitation with smoothed particle hydrodynamics. United States: N. p., 2007. Web. doi:10.1016/j.jcp.2006.08.013.
Tartakovsky, Alexandre M., Meakin, Paul, Scheibe, Timothy D., & Eichler West, Rogene M. Simulations of reactive transport and precipitation with smoothed particle hydrodynamics. United States. doi:10.1016/j.jcp.2006.08.013.
Tartakovsky, Alexandre M., Meakin, Paul, Scheibe, Timothy D., and Eichler West, Rogene M. Thu . "Simulations of reactive transport and precipitation with smoothed particle hydrodynamics". United States. doi:10.1016/j.jcp.2006.08.013.
@article{osti_901176,
title = {Simulations of reactive transport and precipitation with smoothed particle hydrodynamics},
author = {Tartakovsky, Alexandre M. and Meakin, Paul and Scheibe, Timothy D. and Eichler West, Rogene M.},
abstractNote = {A numerical model based on smoothed particle hydrodynamics (SPH) for reactive transport and mineral precipitation in fractured and porous materials was developed. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: i) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that SPH allows accurate solution of momentum dominated flows; ii) complicated physical and chemical processes such as surface growth due to precipitation/ dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions and the Lattice Boltzmann simulations of Kang et al [12]. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with complex geometry were simulated.},
doi = {10.1016/j.jcp.2006.08.013},
journal = {Journal of Computational Physics, 222(2):654-672},
number = 2,
volume = 222,
place = {United States},
year = {Thu Mar 01 00:00:00 EST 2007},
month = {Thu Mar 01 00:00:00 EST 2007}
}