Chemical Reactivity in Liquids: Fundamental Aspects

Front Matter....Pages i-x
Techniques for Studying Fast Reactions in Liquids....Pages 1-14
Advances in Femtosecond Optical Techniques: Recent Experimental Investigations in the Field of Reaction Dynamics....Pages 15-32
Chemical Reactivity in Weak Charge-Transfer Complexes: Analysis of Induced Far Infrared Profiles and Raman Scattering Profiles....Pages 33-54
Kinetic Processes in Electrolyte Solutions in High Frequency Electric Fields....Pages 55-71
Fast Techniques in Electrochemistry Application to the Study of Chemical Reactivity....Pages 73-89
In Vivo N.M.R....Pages 91-104
Study of the System Acetonitrile-Water in the One-Phase Pretransitional Region....Pages 105-111
Effect of Electrostatic Interactions on Electron-Transfer Reactions....Pages 113-119
Pulse Radiolysis Study of Aqueous Solution Reactivity of Transient Species of Biological Interest: Reactions with Various Substrates....Pages 121-128
Determination of Thermodynamic and Spectral Parameters of a Thermochromic Equilibrium by UV/VIS Spectroscopy in Different Solvents....Pages 129-135
The Influence of the Solvents on the Electronic Spectra of Some Aromatic Molecules and their Dipole Moments in the Excited State. The Solvent Effects on the Aniline Electronic Band at 34,870 cm -1 ....Pages 137-145
Fischer-Tropsch Synthesis in a Gas-Liquid-Solid Medium: Selectivities Induced by Phase Equilibria....Pages 147-156
The Role of Electronic Structure Calculation in Mechanistic Analysis of Electron Transfer Reactions in the Liquid Phase....Pages 157-174
Diabatic Electron-Ion Recombination in a Polar Solvent....Pages 175-186
Liquid State Quantum Chemistry: Application to Reactivity....Pages 187-195
The Effect of Solvent Fluctuations in Electron Transfer Processes....Pages 197-204
A Simple Description of the Intermolecular Proton Transfer by Tunnelling in Solutions....Pages 205-211
Conformational Kinetics of Aliphatic Chains....Pages 213-220
Theory of Association and Substitution Reactions....Pages 221-230
Molecular Dynamics of Chemical Reactions in Solution....Pages 231-239
The Statistical Theory of the Ionic Equilibrium of Water. Basic Principles and Practical Realization....Pages 241-252
Modeling Molecular Transformations in Solution....Pages 253-263
Molecular Dynamics Simulations as a Tool for the Study of Chemical Physics and Chemical Kinetics: The Kinetics of Adsorption at a Liquid-Liquid Interface....Pages 265-277
Molecular Dynamics Simulation of a Liquid-Liquid Interface....Pages 279-286
Brownian Dynamics of Chemical Reactions....Pages 287-296
Nonequilibrium Rate Processes....Pages 297-314
Intramolecular Electron Transfer in the Liquid Phase....Pages 315-325
Rate Constants of Reactions in the Liquid State: Present State of Kramers and Smoluchowski-Debye Models....Pages 327-346
Encounter and Reaction Dynamics on the Potential of Mean Force....Pages 347-360
Binary Reactions Occuring in the Process of Random Walks....Pages 361-369
Effect of an External Electric Field on the Rate of Diffusion-Controlled Reactions....Pages 371-378
Time Dependent Rate in Intramolecular Reactions with Conformational Changes....Pages 379-394
Coupling Transport and Reactivity in the Liquid Phase: Evidence of a Space Dependent Chemical Rate Constant....Pages 395-400
Chemical Instabilities in a Non-Uniform Environment: Coupling Between Hydrodynamic and Chemical Modes....Pages 401-414
Spontaneous Breaking of Spatial Homogeneity in a Bistable Reactive System Far from Equilibrium....Pages 415-429
Stochastic Evolution of Inhomogeneous Chemical Systems....Pages 431-435
An Experimental Study of the Behaviour of Chemical Systems Far from Equilibrium....Pages 437-453
Spectral Kinetics: Study of Complex Reactions by External Perturbations....Pages 455-458
A Technique to Design Isothermal Oscillating Reactions in Aqueous Media....Pages 459-467
Analysis of a Marangoni Effect of a Solute....Pages 469-479
Experimental Study of a Bistable Photochemical Reaction in an Open Reactor....Pages 481-488
Wave Propagation in the Belousov-Zhabotinskii Reaction Involving Different Catalysts....Pages 489-493
Chaotic Phenomena in an Enzyme Reaction Under Electrical Constraints....Pages 495-501
Thermodynamic Aspects of the Evolution of Self-Organized Systems....Pages 503-510
Anomalous Stochastic Kinetics....Pages 511-516
Kinetic Symmetries: Some Hints....Pages 517-522
Modelling in Chemical Dynamics....Pages 523-530
Issues and Challenges in Chemical Engineering of Liquid Phase Reactions....Pages 531-542
The Importance of the Second Law of Thermodynamics in Chemical Engineering....Pages 543-560
Methods for the Macroscopic Simulation of Turbulent Reactive Media....Pages 561-579
Mixing, Diffusion and Chemical Reaction of Liquids in a Vortex Field....Pages 581-596
Reactive Flow in the Vicinity of Surfaces....Pages 597-606
Prediction and Simulation of the Behaviour of Discrete Particles Transported by Turbulent Flows: a Review Paper....Pages 607-616
Concluding Remarks....Pages 617-620
Back Matter....Pages 621-631