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SUMMARY:GRASPING COMPLEXITY OF CHEMICAL KINETICS - Gregory S. Yablonsky\, 
 Parks College of Engineering\, Aviation and Technology\, Dept of Chem.\, S
 aint Louis Univ.\, St. Louis\, МО 63103\, USA 
DTSTART:20140613T133000Z
DTEND:20140613T143000Z
UID:TALK51914@talks.cam.ac.uk
CONTACT:Vanessa Blake
DESCRIPTION:The century of complexity has come. Stephen Hawking’s statem
 ent “I think the next century will be the century of complexity” (‘m
 illennium’ interview\, January\, 2000) became a widely cited prophecy. \
 nIn this lecture\, three approaches to grasping complexity of chemical rea
 ctions are presented:\n# thermodynamically consistent ‘gray-box’ appro
 ach\;\n# chemical calculus (non-steady-state kinetic screening)\;\n# analy
 sis of kinetic fingerprints\n\nWithin the ‘gray-box’ approach\, a gene
 ral structural form of the steady-state rate equation of the complex react
 ion is presented for linear reaction mechanism and for nonlinear reaction 
 mechanisms\, the so-called “kinetic polynomial”[1]\n\nChemical calculu
 s (non--steady-state kinetic screening) is driven by the technique of Temp
 oral Analysis of Products (TAP)\, invented at Monsanto by John Gleaves in 
 1988. A rigorous theoretical development of this approach was presented la
 ter [2]. The main TAP-novelty was the controlled treatment of chemical sys
 tem\, in particular catalytic system\, by a series of pulses of very small
  intensity. A sequence of infinitesimal steps produces a finite change of 
 the system activity\, hence the term ‘chemical calculus’ . \n\nThe goa
 l of the analysis of kinetic fingerprints [3] is to find features and char
 acteristics of observed kinetic behavior\, based on which it is possible t
 o resolve the detailed mechanism\, its class or its family\, and to determ
 ine its characteristics. A concept of complexity is supplemented by the co
 ncept of ‘simplexity’ to reflect the rich diversity of patterns which 
 can be produced even by very simple systems.\nAll approaches (see in detai
 l [1]) are illustrated by examples taken from heterogeneous catalysis\, i.
 e. complete and selective oxidation reactions\n\n\nREFERENCES\n# G. B. Mar
 in\, G. Yablonsky “Kinetics of Chemical Reactions. Decoding Complexity
 ”\, J.Wiley-VCH (2011) 428p.\n# J.T. Gleaves\, G.S. Yablonskii\, P. Phan
 awadee and Y. Schuurman\, "TAP-2. Interrogative Kinetics Approach”\, App
 lied Catalysis A: General\, 160\, 55-88 (1997)\n# G. S. Yablonsky\, D. Con
 stales\, G. Marin\, “Coincidences in Chemical Kinetics:   \nSurprising N
 ews about Simple Reactions”\, Chem. Eng. Sci. 65(2010)2325-2332\n# ”Gr
 asping Complexity”\, Computers and Mathematics with Applications\, speci
 al issue\, editors G. Yablonsky and A. Gorban\, Vol. 65\, 13 ( 2013)  \n
LOCATION:Lecture Theatre 1\, Department of Chemical Engineering and Biotec
 hnology\, New Museums Site
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