Počet záznamů: 1

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

SYSNO ASEP	0358304
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	Towards a Unified Formulation of Dynamics and Thermodynamics I. From Microscopic to Macroscopic Time Scales
Tvůrce(i)	Durand, P. (FR) Paidarová, Ivana (UFCH-W)_{RID, ORCID}
Zdroj.dok.	International Journal of Quantum Chemistry. - : Wiley - ISSN 0020-7608 Roč. 111, č. 2 (2011), s. 225-236
Poč.str.	12 s.
Jazyk dok.	eng - angličtina
Země vyd.	US - Spojené státy americké
Klíč. slova	Liouville equation ; time scales ; chemical kinetics and dynamics
Vědní obor RIV	CF - Fyzikální chemie a teoretická chemie
CEP	IAA100400501 GA AV ČR - Akademie věd
	IAA401870702 GA AV ČR - Akademie věd
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
UT WOS	000285311400004
DOI	10.1002/qua.22584
Anotace	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 the quantum 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.
Pracoviště	Ústav fyzikální chemie J.Heyrovského
Kontakt	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Rok sběru	2012

Počet záznamů: 1