scholarly journals Experimental chemical kinetics: a study of chemical reactions by means of moleclar beam techniques. Progress report, October 1972--October 1973

1973 ◽  
Author(s):  
E.F. Greene
Keyword(s):  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Progress Report

scholarly journals Resonant catalysis of thermally activated chemical reactions with vibrational polaritons

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Jorge A. Campos-Gonzalez-Angulo ◽  
Raphael F. Ribeiro ◽  
Joel Yuen-Zhou
Keyword(s):  
Electron Transfer ◽  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Cavity Mode ◽  
Resonant Cavity ◽  
Quantum States ◽  
Transfer Model ◽  
Dark State ◽  
Thermally Activated ◽  
Two Hybrid

Abstract Interaction between light and matter results in new quantum states whose energetics can modify chemical kinetics. In the regime of ensemble vibrational strong coupling (VSC), a macroscopic number $$N$$ N of molecular transitions couple to each resonant cavity mode, yielding two hybrid light–matter (polariton) modes and a reservoir of $$N-1$$ N − 1 dark states whose chemical dynamics are essentially those of the bare molecules. This fact is seemingly in opposition to the recently reported modification of thermally activated ground electronic state reactions under VSC. Here we provide a VSC Marcus–Levich–Jortner electron transfer model that potentially addresses this paradox: although entropy favors the transit through dark-state channels, the chemical kinetics can be dictated by a few polaritonic channels with smaller activation energies. The effects of catalytic VSC are maximal at light–matter resonance, in agreement with experimental observations.

Dynamical resonances in chemical reactions

2018 ◽  
Vol 47 (17) ◽  
pp. 6744-6763 ◽  
Author(s):  
Tao Wang ◽  
Tiangang Yang ◽  
Chunlei Xiao ◽  
Zhigang Sun ◽  
Donghui Zhang ◽  
...  
Keyword(s):  
Transition State ◽  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Reaction Dynamics

The transition state is a key concept in the field of chemistry and is important in the study of chemical kinetics and reaction dynamics.

Address of the President, Sir Howard Florey, at the Anniversary Meeting, 30 November 1962

1963 ◽  
Vol 272 (1351) ◽  
pp. 429-440
Keyword(s):  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Scientific Work ◽  
Fundamental Importance ◽  
Chemical Research ◽  
The Past ◽  
Complex Processes ◽  
Insight Into

Award of Medals 1962 The Copley Medal is awarded to Sir Cyril Hinshelwood, O.M., F. R .S. The contributions of Sir Cyril Hinshelwood to chemical research have been recognized repeatedly, and universally. Most of his scientific work has been concerned with the mechanism of a wide variety of chemical reactions, homogeneous and heterogeneous, and in all states of aggregation. These have included processes of fundamental importance in both chemistry and biology. His work has been characterized by a flair for the elucidation of complex processes by the ingenious planning of relatively simple experiments, together with a remarkable insight into the implication of the results. He has influenced the whole pattern of research in chemical kinetics during the past 40 years.

scholarly journals Combining simulation to nonlinear fitting for the determination of rate constants of elementary reactions by using Excel spreadsheets

2012 ◽  
Vol 8 (4) ◽  
Author(s):  
Ammar M. Tighezza ◽  
Daifallah M. Aldhayan ◽  
Nouir A. Aldawsari
Keyword(s):  
Experimental Data ◽  
Numerical Integration ◽  
Chemical Kinetics ◽  
Chemical Reactions ◽  
Rate Constants ◽  
Model Equation ◽  
Rate Equations ◽  
Unknown Parameters ◽  
Elementary Reactions ◽  
Nonlinear Fitting

A common problem in chemistry is to determine parameters (constants) in an equation used to represent experimental data. Examples are fitting a set of data to a model equation (straight line or curve) to obtain unknown parameters. In chemical kinetics, a set of data is usually a number of concentrations versus time, but the model equation is not well defined! Instead of a well defined model equation we have a set of coupled ODE’s (ordinary differential equations) which represent rate equations for reactants and products. The analytical integration of these ODE’s is rarely possible. The numerical integration is the alternative. In this work are combined the simulation of chemical reactions, by using numerical integration, and nonlinear regression (curve fitting) by using “Solver add-in” of Microsoft Excel to find rate constants of elementary reactions from experimental data. This method is illustrated on three complex mechanisms. The simulation of chemical reactions in Excel spreadsheets is illustrated with/without VBA programming. The automation (automatic obtaining of rate equations from mechanism: no need of chemical kinetics knowledge from the end user!) of mechanism simulation is demonstrated on many example.

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