Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Chemical reactions, kinetics high-pressure limit

The kinetic parameters of each path are determined as a function of temperature and pressure using the bimolecular chemical activation analysis. High Pressure limit kinetic parameters from the calculation results are obtained with the canonical Transition State Theory. The multifrequency Quantum Rice-Ramsperger-Kassel analysis is utilized to obtain k(E) and Master Equation analysis is used for the evaluation of pressure fall-off in this complex bimolecular chemical activation reaction. Results are applicable to elementary experiments at low pressures, ambient combustion studies at one atmosphere, as well as higher-pressure turbine systems. [Pg.126]

Chapter 6 presents estimations of thermochemical properties of intermediates, transition states and products important to destruction of the aromatic ring in the phenyl radical + O2 reaction system. We have employed both DFT and high-level ab initio methods to analyze the substituent effects on a number of chemical reactions and processes involving alkyl and peroxyl radicals. Partially based on the results obtained in the vinyl system, high-pressure-limit kinetic parameters are obtained using canonical Transition State Theory. An elementary reaction mechanism is constructed to model experimental data obtained in a combustor at 1 atm, and in high-pressure turbine systems (5-20 atm), as well as in supercritical water [31]. [Pg.5]

High Pressure limit kinetic parameters are obtained from canonical Transition State Theory calculations. Multifrequency Quantum Rice-Ramsperger-Kassel (QRRK) analysis is used to calculate k(E) data and master equation analysis is applied to evaluate fall-off in this chemically activated reaction system. [Pg.85]

Suppose, on the other hand, that we have followed some unimolecular reaction up to its high pressure limit, and we then continue to increase the pressure still further what might we expect to happen Most very high pressure experiments in chemical kinetics have been conducted in the liquid phase [41.G 70.K 81.1] and the results appear to be interpretable quite satisfactorily in terms of transition state theory we write that... [Pg.11]

According to [14], the decrease in concentration limit resulting from the pressure rise is characteristic of mixtures with high water steam content. The observed phenomena are the result of the aggregate effects of the chemical reaction kinetics, water molecules/water steam heat radiation and self-absorption of the heat radiation... [Pg.78]

These pioneers understood the interplay between chemical equiUbrium and reaction kinetics indeed, Haber s research, motivated by the development of a commercial process, helped to spur the development of the principles of physical chemistry that account for the effects of temperature and pressure on chemical equiUbrium and kinetics. The ammonia synthesis reaction is strongly equiUbrium limited. The equiUbrium conversion to ammonia is favored by high pressure and low temperature. Haber therefore recognized that the key to a successful process for making ammonia from hydrogen and nitrogen was a catalyst with a high activity to allow operation at low temperatures where the equiUbrium is relatively favorable. [Pg.161]


See other pages where Chemical reactions, kinetics high-pressure limit is mentioned: [Pg.222]    [Pg.255]    [Pg.208]    [Pg.249]    [Pg.154]    [Pg.400]    [Pg.125]    [Pg.299]    [Pg.463]    [Pg.36]    [Pg.26]    [Pg.92]    [Pg.184]    [Pg.428]    [Pg.19]    [Pg.172]    [Pg.395]    [Pg.23]    [Pg.25]    [Pg.463]    [Pg.380]    [Pg.363]    [Pg.19]    [Pg.248]    [Pg.238]    [Pg.282]    [Pg.393]    [Pg.1362]    [Pg.2528]    [Pg.2594]    [Pg.187]    [Pg.461]    [Pg.113]    [Pg.35]    [Pg.162]    [Pg.113]    [Pg.2508]    [Pg.2574]    [Pg.421]    [Pg.66]    [Pg.263]    [Pg.512]    [Pg.318]   
See also in sourсe #XX -- [ Pg.55 ]




SEARCH



Chemical high pressure

Chemical kinetics

Chemical pressure

Chemical reaction kinetics

Chemical reaction kinetics reactions

High limitations

High limiters

High pressure limit

High pressure reactions

High reactions

High-3-limit

Kinetic Chemicals

Kinetic limitations, chemical

Kinetics limitations

Pressure limit

Pressure limiting

Reaction limit

Reaction limitation

© 2024 chempedia.info