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Nonequilibrium Fock space for the electron transport problem
Based on the formalism of thermofield dynamics we propose a concept of nonequilibrium Fock space and nonequilibrium quasiparticles for quantum many-body system in nonequilibrium steady state. We devel...

A least-constraint principle for population dynamics and reaction kinetics: Modeling entropy-controlled chemical hypercycles

J. Chem. Phys. 131, 171101 (2009); doi:10.1063/1.3253688

Published 2 November 2009

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Denis Horváth1,2 and Gerald R. Kneller1,3
1Centre de Biophysique Moléculaire, CNRS, Rue Charles Sadron, 45071 Orléans, France
2Department of Physics, Faculty of Electrical Engineering and Informatics, Technical University, Letná 9, 042 00 Košice, Slovak Republic
3Université d'Orléans, Chateau de la Source-Av. du Parc Floral, 45067 Orléans, France
In this paper, we investigate the treatment of constraints in rate equations describing the temporal evolution of biological populations or chemical reactions. We present a formulation for arbitrary holonomic and linear nonholonomic constraints which ensures the positivity of the dynamical variables and which is an analog of Gauss' principle of least constraint in classical mechanics. The approach is illustrated for the replication of molecular species in the Schuster–Eigen hypercycle model, imposing the conservation of the total number of molecules and the entropy production as constraints. The latter is used to model the behavior of an isolated system tending toward equilibrium and, for comparison, a stationary nonequilibrium state of an open system, which is characterized by undamped oscillations. ©2009 American Institute of Physics
History: Received 31 July 2009; accepted 2 October 2009; published 2 November 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/171101/1
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KEYWORDS and PACS

Keywords
PACS
  • 82.20.-w
    Chemical kinetics and dynamics
  • 82.39.-k
    Chemical kinetics in biological systems
  • 82.60.Hc
    Chemical equilibria and equilibrium constants
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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