Trichloroacetyl chloride, CCl3COCl, as an alternative Cl atom precursor for laboratory use and determination of Cl atom rate coefficients for n-CH2CH(CH2)xCN (x = 3–4)

2020 ◽  
Vol 22 (6) ◽  
pp. 1347-1354
Author(s):  
Sofie Askjær Hass ◽  
Simone Thirstrup Andersen ◽  
Ole John Nielsen
Keyword(s):  
Relative Rate ◽  
Rate Coefficients ◽  
Cl Atom

Investigation of CCl3COCl as a Cl atom precursor for laboratory use in (relative) rate and product.

Determination of gas-phase ozonolysis rate coefficients of a number of sesquiterpenes at elevated temperatures using the relative rate method

2012 ◽  
Vol 14 (18) ◽  
pp. 6596 ◽  
Author(s):  
Mohamed Ghalaieny ◽  
Asan Bacak ◽  
Max McGillen ◽  
Damien Martin ◽  
Alan V. Knights ◽  
...  
Keyword(s):  
Gas Phase ◽  
Elevated Temperatures ◽  
Relative Rate ◽  
Rate Coefficients ◽  
Rate Method

Determination of Complex Reaction Mechanisms

2006 ◽  
Author(s):  
John Ross ◽  
Igor Schreiber ◽  
Marcel O. Vlad
Keyword(s):  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Reaction Pathway ◽  
Chemical Species ◽  
Rate Coefficients ◽  
Chemical System ◽  
Evolutionary Development ◽  
Complex Reaction ◽  
Oscillatory Reactions

In a chemical system with many chemical species several questions can be asked: what species react with other species: in what temporal order: and with what results? These questions have been asked for over one hundred years about simple and complex chemical systems, and the answers constitute the macroscopic reaction mechanism. In Determination of Complex Reaction Mechanisms authors John Ross, Igor Schreiber, and Marcel Vlad present several systematic approaches for obtaining information on the causal connectivity of chemical species, on correlations of chemical species, on the reaction pathway, and on the reaction mechanism. Basic pulse theory is demonstrated and tested in an experiment on glycolysis. In a second approach, measurements on time series of concentrations are used to construct correlation functions and a theory is developed which shows that from these functions information may be inferred on the reaction pathway, the reaction mechanism, and the centers of control in that mechanism. A third approach is based on application of genetic algorithm methods to the study of the evolutionary development of a reaction mechanism, to the attainment given goals in a mechanism, and to the determination of a reaction mechanism and rate coefficients by comparison with experiment. Responses of non-linear systems to pulses or other perturbations are analyzed, and mechanisms of oscillatory reactions are presented in detail. The concluding chapters give an introduction to bioinformatics and statistical methods for determining reaction mechanisms.

Collisional excitation of the formyl radical (HCO) by molecular hydrogen

2020 ◽  
Vol 498 (4) ◽  
pp. 5361-5366
Author(s):  
Paul J Dagdigian
Keyword(s):  
Accurate Determination ◽  
Radiative Transition ◽  
Rate Coefficients ◽  
Cluster Method ◽  
Quantum Scattering ◽  
Close Coupling ◽  
Explicitly Correlated ◽  
Radiative Transition Rate ◽  
Fine And Hyperfine Structure

ABSTRACT This paper addresses the need for accurate rate coefficients for transitions between fine- and hyperfine-structure resolved rotational transitions in the formyl (HCO) radical induced by collisions with the two nuclear spin modifications of H2, the dominant molecule in the interstellar medium (ISM). These rate coefficients, as well as radiative transition rate coefficients, are required for accurate determination of the abundance of HCO in the ISM. Time-independent close-coupling quantum scattering calculations have been used to compute rate coefficients for (de-)excitation of HCO in collisions with para- and ortho-H2. These calculations utilized a potential energy surface for the interaction of HCO with H2 recently computed by the explicitly correlated RCCSD(T)-F12a coupled-cluster method. Rate coefficients for temperatures ranging from 5 to 400 K were calculated for all transitions among the fine and hyperfine levels associated with the first 22 rotational levels of HCO, whose energies are less than or equal to 144 K.

scholarly journals Atmospheric Chemistry, Sources, and Sinks of Carbon Suboxide, C<sub>3</sub>O<sub>2</sub>

2017 ◽  
Author(s):  
Stephan Keßel ◽  
David Cabrera-Perez ◽  
Abraham Horowitz ◽  
Patrick R. Veres ◽  
Rolf Sander ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
Relative Rate ◽  
Ambient Air ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Carbon Suboxide ◽  
Air Samples ◽  
Sources And Sinks

Abstract. Carbon suboxide, O = C = C = C = O, has been detected in ambient air samples and has the potential to be a noxious pollutant and oxidant precursor; however, its lifetime and fate in the atmosphere is largely unknown. In this work, we collect an extensive set of studies on the atmospheric chemistry of C3O2. Rate coefficients for the reactions of C3O2 with OH radicals and ozone were determined using relative rate techniques as k4 = (2.6 ± 0.5) × 10−12 cm3 molecule−1 s1 at 295 K (independent of pressure between ~ 25 and 1000 mbar) and k6 

scholarly journals Determination of the recombination rate coefficients for Na-like Si IV forming Mg-like Si III

2006 ◽  
Vol 459 (1) ◽  
pp. 291-296 ◽  
Author(s):  
I. Orban ◽  
P. Glans ◽  
Z. Altun ◽  
E. Lindroth ◽  
A. Källberg ◽  
...  
Keyword(s):  
Recombination Rate ◽  
Rate Coefficients

Determination of the rate coefficients of the SO2 + O + M → SO3 + M reaction

2010 ◽  
Vol 42 (3) ◽  
pp. 168-180 ◽  
Author(s):  
S. M. Hwang ◽  
J. A. Cooke ◽  
K. J. De Witt ◽  
M. J. Rabinowitz
Keyword(s):  
Rate Coefficients
Sign in / Sign up

Export Citation Format

Share Document