Interactions and Binding Energies of Dimethyl Methylphosphonate and Dimethyl Chlorophosphate with Amorphous Silica

Abstract

The fundamental interactions of dimethyl methylphosphonate (DMMP) and dimethyl chlorophosphate (DMCP) on amorphous silica nanoparticles have been investigated with transmission infrared spectroscopy and temperature-programmed desorption (TPD). DMMP and DMCP both adsorb molecularly to silica through the formation of hydrogen bonds between isolated silanols and the phosphoryl oxygen of the adsorbate. The magnitude of the shift of the (OH) mode upon simulant adsorption is correlated to the adsorption strength. The activation energies for desorption for a single DMMP or DMCP molecule from amorphous silica varied with coverage. In the limit of zero coverage, after the effects of defects were excluded, the activation energies were 54.5 plus/minus 0.3 and 48.4 plus/minus 1.0 kJ/mol for DMMP and DMCP, respectively.

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Document Details

Document Type
Technical Report
Publication Date
Jul 10, 2012
Accession Number
ADA571342

Entities

People

  • Amanda R. Wilmsmeyer
  • John R Morris
  • Joshua R Uzarski
  • Patrick J. Barrie

Organizations

  • Virginia Tech

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemical Engineering
  • Chemical Warfare
  • Chemical Warfare Agents
  • Chemistry
  • Complex Systems
  • Equations
  • Frequency
  • Heat Of Activation
  • Hydrogen Bonds
  • Infrared Spectra
  • Infrared Spectroscopy
  • Measurement
  • Molecular Dynamics
  • Particles
  • Simulations
  • Spectra
  • Spectroscopy

Fields of Study

  • Chemistry

Readers

  • Analytical Chemistry
  • Combustion science or combustion engineering.
  • Nanocomposite Materials Science

Technology Areas

  • Biotechnology