Reactive Random Walks-Embracing Complexity, Incomplete Mixing, and Heterogeneity to Predict Reactions in Environmentally Relevant Porous Media Systems

Abstract

We propose to extend state of the art Lagrangian random walk methods for reactive transport. In particular our goal is to develop methods that can handle large and realistic complex reaction chains, including kinetic, equilibrium and multiphase reactions. Additionally, our goal is to design our methods to be able to handle realistic multi-scale heterogeneity that is ubiquitous in environmental systems, but not accounted for in classical formulations. These approaches will be developed by deriving and testing accurate, physically-based model equations and simulation techniques for transport and chemical reactions in complex environmental systems, particularly in relation to redox reactions and mobility of metals in subsurface waters.

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Document Details

Document Type
Technical Report
Publication Date
Jun 28, 2022
Accession Number
AD1201212

Entities

People

  • Diogo Bolster

Organizations

  • University of Notre Dame

Tags

DTIC Thesaurus Topics

  • Abstracts
  • Classification
  • Contracts
  • Heterogeneity
  • Mathematics
  • Military Research
  • Monitoring
  • Organizational Structure
  • Platforms
  • Random Walk
  • Security
  • Standards
  • Triangles

Readers

  • Computational Fluid Dynamics (CFD)
  • Groundwater Contamination Remediation.
  • Theoretical Analysis.