Next-generation Chemical-kinetics, Transport, and Reacting-flow Software Tools

Abstract

The purpose of this grant was to develop and articulate a vision for designing and implementing advanced chemically reacting flow modeling software. The focus is on chemistry and transport in three important technology areas: 1) high pressure gas-phase processes, 2) heterogeneous catalysis, and 3) electrochemistry. The general thrust is concerned with energy-conversion processes, such as high-pressure combustion, catalytic fuel conversion, fuel cells, and batteries. The results of the study are communicated in three documents: 1) A roadmap to guide future development, 2) A proposal to bring together a nationwide implementation team, and 3) An archival paper that articulates a vision for electrochemistry.

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Document Details

Document Type
Technical Report
Publication Date
Oct 04, 2018
Accession Number
AD1061432

Entities

People

  • Gregory S Jackson
  • Robert J. Kee
  • Steven C DeCaluwe

Organizations

  • Colorado School of Mines

Tags

Communities of Interest

  • Cyber
  • Energy and Power Technologies
  • Ground and Sea Platforms

DTIC Thesaurus Topics

  • Chemical Engineering
  • Chemical Kinetics
  • Chemical Products
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Combustion
  • Computational Fluid Dynamics
  • Computer Programming
  • Computer Programs
  • Computers
  • Continuous Chemical Reactors
  • Crystal Structure
  • Electrochemical Cells
  • Electrochemical Reactions
  • Energy
  • Energy Storage
  • Equations Of State
  • Ionic Liquids
  • Operating Systems
  • Phase Transformations
  • Thermodynamics

Readers

  • Combustion science or combustion engineering.
  • Electrochemical Engineering/ Fuel Cell Technologies
  • Systems Analysis and Design

Technology Areas

  • Biotechnology