Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ...

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3.6 Oscillating reactions* 75 3.7 References Bader 1983 G. Bader, P. Deuflhard, Numerische Mathematik 41, 373 (1985) Deuflhard 1983 P. Deuflhard, Numerische Mathematik 41, 399 (1985). Deuflhard 1985 P. Deuflhard, SIAM Review 27, 505 (1985). Eigen 1975 M. Eigen, R. Winkler, Das Spiel, Piper, München, 1975. Gear 1971a C.W.Gear,Commun.Am.Comput.Mach.14, 1976 (1971). Gear 1971b C. W. Gear, Numerical Initial Value Problems in Ordinary Differential Equations, Prentice-Hall, Englewood Cliffs, 1971. Houston 1996 P. L. Houston, Chemical Kinetics and Reaction Dynamics, McGraw- Hill, Boston, 2001. Jost 1974 W. Jost, in Physical Chemistry: An Advanced Treatise, Ed.:W.Jost,Vol. VIa, Academic Press, New York, 1974. Lotka 1920 A. J. Lotka, Undamped Oscillations Derived from the Law of Mass Action, J. Am. Chem. Soc. 44, 1595 (1920). Press 1992 W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flannery, Numerical Recipes in Fortran, Cambridge University Press, Cambridge, 1992. Scott 1994 S. K. Scott, Oscillations, Waves, and Chaos in Chemical Kinetics, Oxford Science Publications, Oxford, 1994. Stoer 1980 J. Stoer, R. Bulirsch, Introduction to Numerical Analysis, Springer,New York, 1980.
3.7 References 76 4. Experimental methods In this section we consider experimental techniques for determining rate coefficients. We’ll get to faster reactions as we go down the list. Special techniques used in quantum state-resolved reaction dynamics, photodissociation, or transition state spectroscopy (molecular beams, state specific detection, photofragment translational spectroscopy, photofragment imaging, other pump-probe techniques, fluorescence up-conversion, fs-CARS, fs-DFWM) will be considered later (in advanced courses), but we’ll briefly touch photochemistry and “femtochemistry”. 4.1 End product analysis • firststepforsettingupreactionmechanisms, • all convenient analytical techniques (HPLC, GC, GC-MS, MS, UV, FTIR, . . . ), • Problem: No “direct” kinetic information because of lack of time resolution. I Figure 4.1: FTIR spectrometer for kinetic studies of photolysis-induced reactions.
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Physical Chemistry 3: — Chemical
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iii 2.7 Temperature dependence of r
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v 7.1.2 Formal kinetic model 149 7.
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vii 12 Photochemical reactions 241
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ix Preface This scriptum contains l
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xi Disclaimer Use of this text is e
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xiii I Figure 2: Organisational mat
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xv I Figure 6: Recommended textbook
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1.2 Time scales for chemical reacti
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1.2 Time scales for chemical reacti
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1.3 Historical events 6 I Empirical
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1.4 References 8 2. Formal kinetics
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2.1 Definitions and conventions 10
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2.2 Kinetics of irreversible first-
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2.2 Kinetics of irreversible first-
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2.3 Kinetics of reversible first-or
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2.3 Kinetics of reversible first-or
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Page 117 and 118: 5.2 Kinetic gas theory 102 I The 1D
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5.4 Advanced collision theory 126 a
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5.4 Advanced collision theory 128 I
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5.4 Advanced collision theory 130 (
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5.4 Advanced collision theory 136
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5.4 Advanced collision theory 138 6
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6.2 Polyatomic molecules 140 I Figu
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6.2 Polyatomic molecules 142 I Mode
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6.3 Trajectory Calculations 144 •
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6.3 Trajectory Calculations 146 7.
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7.1 Foundations of transition state
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7.2 Applications of transition stat
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7.3 Thermodynamic interpretation of
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7.4 Transition state spectroscopy 1
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8.1 Experimental observations 176 (
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8.2 Lindemann mechanism 178 8.2 Lin
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8.2 Lindemann mechanism 180 I Half-
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8.3 Generalized Lindemann-Hinshelwo
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8.4 The specific unimolecular react
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8.5 Collisional energy transfer* 20
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8.6 Recombination reactions 202 8.7
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9.1 Chain reactions and chain explo
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9.1 Chain reactions and chain explo
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9.2 Heat explosions 208 • positiv
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9.2 Heat explosions 210 (3) We can
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9.2 Heat explosions 212 9.2.3 Explo
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9.2 Heat explosions 214 10. Catalys
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10.1 Kinetics of enzyme catalyzed r
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10.2 Kinetics of heterogeneous reac
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11.1 Qualitative model of liquid ph
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11.2 Diffusion-controlled reactions
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11.2 Diffusion-controlled reactions
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11.3 Activation controlled reaction
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11.4 Electron transfer reactions (M
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11.5 Reactions of ions in solutions
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11.5 Reactions of ions in solutions
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12.2 Fluorescence quenching (Stern-
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12.4 Radiationless processes in pho
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14 Combustion chemistry* 258 15. As
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16 Energy transfer processes* 260 1
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Appendix B 262 Appendix A: Useful p
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Appendix B 264 The Marquardt-Levenb
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Appendix C 266 • Convolution of t
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Appendix C 268 C.2 Application to t
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Appendix C 270 C.3 Application to p
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Appendix D 272 Final solutions for
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Appendix D 274 D.2 Special matrices
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Appendix D 276 I Multiplication by
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Appendix D 278 D.4 Coordinate trans
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Appendix D 280 D.5 Systems of linea
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Appendix D 282 D.6 Eigenvalue equat
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Appendix E 284 Secular equation: de
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Appendix E 286 Appendix E: Laplace
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Appendix F 288 Appendix F: The Gamm
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Appendix G 290 Appendix G: Ergebnis
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Appendix G 292 I Anschauliche Bedeu
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Appendix G 294 Ergebnis: = 1 X
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Appendix G 296 (2) Grenzfall für
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Appendix G 298 G.4 Mikrokanonische
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Appendix G 300 G.5 Statistische Int
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Appendix G 302 y = (G.7
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Appendix G 304 G.8 Zustandssumme f
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Appendix G 306 G.9 Zustandssumme f
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Physical Chemistry 3: — Chemical Kinetics — - Christian-Albrechts ...

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