A gibbs formulation for reactive materials with phase change

Research output: Chapter in Book/Report/Conference proceedingConference contribution


Energetic material condensed phase constituents come into contact, chemically react and simultaneously undergo phase change. Phase change in a given molecular material is often considered separately from chemical reaction. Continuum phase field models often use a indicator function to change the phase in different regions according to an evolutionary (Ginzburg-Landau) equation. But chemical kinetic descriptions of change (according to physical chemistry formulations) count species or component concentrations and derive kinetic evolution equations based on component mass transport. We argue the latter is fundamental and that all components, designated by both phase and chemical characters are treated as distinct chemical species.We pose a self-consistent continuum, thermo-mechanical model based on specified Gibbs potentials for all relevant species/components that are present in a single material. Therefore a single stress tensor, and a single temperature is assumed for the material for all relevant component-species, for all equilibrium potentials, interaction energies and material properties. We discuss recent examples where we have applied the Gibbs formulation to model behavior of complex reactive materials.

Original languageEnglish (US)
Title of host publicationShock Compression of Condensed Matter - 2015
Subtitle of host publicationProceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter
EditorsRamon Ravelo, Thomas Sewell, Ricky Chau, Timothy Germann, Ivan I. Oleynik, Suhithi Peiris
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735414570
StatePublished - Jan 13 2017
Event19th Biennial American Physical Society Conference on Shock Compression of Condensed Matter, SCCM 2015 - Tampa, United States
Duration: Jun 14 2015Jun 19 2015

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


Other19th Biennial American Physical Society Conference on Shock Compression of Condensed Matter, SCCM 2015
Country/TerritoryUnited States


  • Energetic materials
  • Non-equilibrium thermodynamics
  • Physical chemistry
  • Reactive materials

ASJC Scopus subject areas

  • General Physics and Astronomy


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