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Title: Effective Stochastic Model For Reactive Transport

Abstract

We propose an effective stochastic advection-diffusion-reaction (SADR) model. Unlike traditional advection-dispersion-reaction models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, the mechanical mixing is driven by random advective velocity with the variance given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a fickian diffusion with the effective diffusion coefficient. Both coefficients are given in terms of Peclet number (Pe) and the coefficient of molecular diffusion. We use the experimental results of \cite{Gramling} to demonstrate that for transport and bimolecular reactions in porous media the SADR model is significantly more accurate than the traditional dispersion model, which overestimates the mass of the reaction product by as much as 25\%.

Authors:
 [1]
  1. BATTELLE (PACIFIC NW LAB)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1542085
Report Number(s):
PNNL-SA-93069
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Book
Country of Publication:
United States
Language:
English
Subject:
stochastic equations, mixing controlled reactions, multiscale models, reactive transport, mesoscale models

Citation Formats

Tartakovsky, Alexandre M. Effective Stochastic Model For Reactive Transport. United States: N. p., 2018. Web. doi:10.1002/9781119060031.ch11.
Tartakovsky, Alexandre M. Effective Stochastic Model For Reactive Transport. United States. doi:10.1002/9781119060031.ch11.
Tartakovsky, Alexandre M. Sun . "Effective Stochastic Model For Reactive Transport". United States. doi:10.1002/9781119060031.ch11.
@article{osti_1542085,
title = {Effective Stochastic Model For Reactive Transport},
author = {Tartakovsky, Alexandre M.},
abstractNote = {We propose an effective stochastic advection-diffusion-reaction (SADR) model. Unlike traditional advection-dispersion-reaction models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, the mechanical mixing is driven by random advective velocity with the variance given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a fickian diffusion with the effective diffusion coefficient. Both coefficients are given in terms of Peclet number (Pe) and the coefficient of molecular diffusion. We use the experimental results of \cite{Gramling} to demonstrate that for transport and bimolecular reactions in porous media the SADR model is significantly more accurate than the traditional dispersion model, which overestimates the mass of the reaction product by as much as 25\%.},
doi = {10.1002/9781119060031.ch11},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {3}
}

Book:
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