Effective Stochastic Model For Reactive Transport

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

This chapter describes the Langevin advection-diffusion-reaction (LADR) model, an effective stochastic model defined on the scale L. For reactive transport, results show that the error in the Darcy advection-dispersion-reaction model increases with the decreasing dilution index. The error is defined as the ratio between masses of the reaction product obtained from the pore- and Darcy-scale simulations. The chapter then demonstrates that separate treatment of advective and diffusion mixing is more accurate for modeling multicomponent reactive transport. Pore-scale flow and transport equations are solved numerically using the smoothed particle hydrodynamics (SPH) method. Multicomponent reactive transport in porous media is a challenging problem because of the complex interplay between diffusive and advective mixing and reactions. In the case of the concentration-gradient-driven Rayleigh-Taylor instability, author's results show that the advection-dispersion model underestimates the concentration gradient across the front separating two miscible fluids and the rate of the Rayleigh-Taylor instability growth.

Original languageEnglish (US)
Title of host publicationReactive Transport Modeling
Subtitle of host publicationApplications in Subsurface Energy and Environmental Problems
EditorsYitian Xiao, Fiona Whitaker, Tianfu Xu, Carl Steefel
PublisherWiley
Pages511-531
Number of pages21
ISBN (Electronic)9781119060031
ISBN (Print)9781119060000
DOIs
StatePublished - Apr 25 2018
Externally publishedYes

Keywords

  • Darcy-scale simulations
  • Langevin advection-diffusion-reaction model
  • Multicomponent reactive transport
  • Pore-scale simulations
  • Rayleigh-Taylor instability
  • Smoothed particle hydrodynamics method
  • Stochastic model

ASJC Scopus subject areas

  • General Chemistry

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