A theoretical equation of state for detonation products

PDF Version Also Available for Download.

Description

A theoretical equation of state for detonation products is described that places particular emphasis on the characterization of small carbon clusters (20{angstrom}--50{angstrom} in diameter) in the products. Diamond clusters are modeled with the dangling bonds on the surface atoms (up to 30% of the cluster) capped by various radicals composed of C, H, N, and O from the background molecular fluid mixture. Free energy methods for the surface groups are used to determine the chemical equilibrium composition of the cluster surface as well as the surrounding molecular fluid mixture. The surface composition shows dramatic changes in composition over some regions ... continued below

Physical Description

8 p.

Creation Information

Shaw, M.S. December 31, 1998.

Context

This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Author

Sponsor

Publisher

Provided By

UNT Libraries Government Documents Department

Serving as both a federal and a state depository library, the UNT Libraries Government Documents Department maintains millions of items in a variety of formats. The department is a member of the FDLP Content Partnerships Program and an Affiliated Archive of the National Archives.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Description

A theoretical equation of state for detonation products is described that places particular emphasis on the characterization of small carbon clusters (20{angstrom}--50{angstrom} in diameter) in the products. Diamond clusters are modeled with the dangling bonds on the surface atoms (up to 30% of the cluster) capped by various radicals composed of C, H, N, and O from the background molecular fluid mixture. Free energy methods for the surface groups are used to determine the chemical equilibrium composition of the cluster surface as well as the surrounding molecular fluid mixture. The surface composition shows dramatic changes in composition over some regions and varies slowly in others. A perturbation theory approach is used for the mixture of molecular fluids that also includes features based on Monte Carlo simulations.

Physical Description

8 p.

Notes

OSTI as DE99002822

Source

  • 11. detonation symposium, Snowmass, CO (United States), 31 Aug - 4 Sep 1998

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

  • Other: DE99002822
  • Report No.: LA-UR--98-3821
  • Report No.: CONF-980803--
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 350872
  • Archival Resource Key: ark:/67531/metadc688414

Collections

This article is part of the following collection of related materials.

Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • December 31, 1998

Added to The UNT Digital Library

  • July 25, 2015, 2:20 a.m.

Description Last Updated

  • Feb. 26, 2016, 6:43 p.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 0
Total Uses: 9

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Shaw, M.S. A theoretical equation of state for detonation products, article, December 31, 1998; New Mexico. (digital.library.unt.edu/ark:/67531/metadc688414/: accessed September 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.