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Towards a Unified Formulation of Dynamics and Thermodynamics I. From Microscopic to Macroscopic Time Scales

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F11%3A00358304" target="_blank" >RIV/61388955:_____/11:00358304 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1002/qua.22584" target="_blank" >http://dx.doi.org/10.1002/qua.22584</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1002/qua.22584" target="_blank" >10.1002/qua.22584</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Towards a Unified Formulation of Dynamics and Thermodynamics I. From Microscopic to Macroscopic Time Scales

  • Original language description

    We go a step further on the path opened in the mid-1950s by Prigogine and his collaborators towards a unified description of dynamics and thermodynamics of irreversible processes. Here, the theory is developed from concepts and methods originating in thequantum theory of resonances. The Liouville-von Neumann equation is solved by means of effective Liouvillians, which are similar to the effective Hamiltonians used in quantum mechanics. Hierarchies of effective Liouvillians allow us to determine the long macroscopic time scales from short microscopic characteristic times. For that purpose, standard perturbation theory is used in the complex plane. Damped and oscillating irreversible decays of a fluctuation are described by means of a two-dimensional matrix representation of the Liouvillian. Finally, we derive a kinetic equation for a simple model of a chemical reaction proceeding towards equilibrium. The model implies a transition state assimilated to a short-lived resonance.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2011

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    International Journal of Quantum Chemistry

  • ISSN

    0020-7608

  • e-ISSN

  • Volume of the periodical

    111

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    12

  • Pages from-to

    225-236

  • UT code for WoS article

    000285311400004

  • EID of the result in the Scopus database