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报告题目:
A personal approach to non-equilibrium and bifurcations in chemistry and in quantum chemistry
 报告人:
Professor Jean-Marie André教授
Royal Academy of Belgium, University of Namur
清华大学客座教授
报告时间:
2015-04-23 09:30
报告地点:
何添楼406会议室
主办单位:
化学系帅志刚课题组
  简介:
报告摘要:
The lecture summarizes the principles of non-equilibrium thermodynamics. It shows how non equilibrium allows to overpass the standard rules of equilibrium thermodynamics and produce "counter nature" phenomena like coupled and oscillating reactions that have allowed the emergence of life [1].
It describes the constructive role of entropy in nonequilibrium situations and tackles the difficult question of extreme sensibility to initial conditions [2]. Verhulst's famous logistic model of population (1844) serves as the basis of interpretation of the simplest auto-catalytic chemical reaction: A+X2X. Belousov-Zhabotinski (BZ) oscillating reactions (1950), Prigogine's dissipative structures (1955-1970), Lorenz's strange attractors (1963), May's pitchfork bifurcations (1975), deterministic chaos and fractal geometry are shortly presented in this framework as the normal consequences of nonlinearities [3]. The lecture is exemplified by many examples selected in the field of chemistry [4].
 
References:
[1] J.M. André, Non-equilibrium Thermodynamics, Bifurcations, Dissipative Structures and Evolution,
    Revue des questions scientifiques, 177, 323-346 (2006).
[2] J.M. André, Une introduction à la théorie du chaos déterministe appliquée à la chimie,
    Chimie nouvelle, 18, 3151-3161 (2000).
[3] J.M André, Chaos and chemistry: Simple models to understand chaos in chemistry.
    in Computational Materials Science, J. Leszczynski, Ed., p. 1-29, Elsevier (2004).

[4] J.M. André, M.Cl. André, J.G. Fripiat, C. Lambert, Quantum chemistry and non-equilibrium thermodynamics: does chaos play a role in quantum chemical calculations ? American Institute of Physics, AIP Proceedings, The Nils Yngve Ohrn Symposium, p.147 (2007).

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