Two‐Hilbert space formulations of the quantum statistical mechanics of reactive fluids: Dimer formation and decay Evans, James Evans, James
dc.contributor.department Ames Laboratory
dc.contributor.department Physics and Astronomy
dc.contributor.department Mathematics 2018-02-18T21:40:50.000 2020-06-30T06:19:45Z 2020-06-30T06:19:45Z Wed Jan 01 00:00:00 UTC 1986 1986
dc.description.abstract <p>A two‐Hilbert space formalism is first used to develop a general class of representations for the quantum mechanics of <em>N</em>‐particle reactive systems. Here the <em>N</em>‐particle Hilbert space H<em>N</em> is supplemented by a larger arrangement channel space C<em>N</em> of vectors with Hilbert space valued components for each <em>N</em>‐particle clustering, and an injection mapping of H<em>N</em> vectors into ‘‘physical’’ C<em>N</em>vectors. Such representations, for which components of the latter vectors carry an appropriate physical clustering interpretation, provide a rigorous and flexible basis for describing the statistical mechanics of reactive fluids, where atoms and molecules are treated on an equal footing (the molecular picture). Corresponding equilibrium multispecies fugacity or virial expansions follow immediately. Here we focus on analysis of the (previously derived) arrangement channel BBGKY hierarchy for a system where recombination and dissociation,as well as exchange reactions, occur. This formulation (coupled with a corresponding scattering theory) automatically suggests a reactive Boltzmannansatz which incorporates (standard) noninteracting asymptotic dynamics <em>o</em><em>n</em><em>l</em><em>y</em>for two‐molecule nonreactive and reactive exchange collisions. In contrast, e.g., with three molecule recombination, two‐molecule dynamics for all three pairs is included (as required for a description of recombination via gradual stabilization of metastables). Finally we compare the resulting reduced form of appropriate channel space hierarchy equations, for a process involving dimer formation and decay, with the corresponding kinetic equations of Lowry and Snider.</p>
dc.description.comments <p>This article is published as Evans, J. W. "Two‐Hilbert space formulations of the quantum statistical mechanics of reactive fluids: Dimer formation and decay." <em>The Journal of chemical physics</em> 85, no. 10 (1986): 5991-6003, doi:<a href="" target="_blank">10.1063/1.451513</a>. Posted with permission.</p>
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dc.identifier archive/
dc.identifier.articleid 1432
dc.identifier.contextkey 10639249
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath physastro_pubs/447
dc.language.iso en
dc.source.bitstream archive/|||Sat Jan 15 00:19:07 UTC 2022
dc.source.uri 10.1063/1.451513
dc.subject.disciplines Biological and Chemical Physics
dc.subject.disciplines Physics
dc.subject.keywords Boltzmann equations
dc.subject.keywords Hilbert space
dc.subject.keywords Cluster analysis
dc.subject.keywords Dissociation
dc.subject.keywords Cluster reactivity
dc.title Two‐Hilbert space formulations of the quantum statistical mechanics of reactive fluids: Dimer formation and decay
dc.type article
dc.type.genre article
dspace.entity.type Publication
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