Experimental Study of the Reaction between Vinyl and Methyl Radicals in the Gas Phase. Temperature and Pressure Dependence of Overall Rate Constants and Product Yields

2000 ◽  
Vol 104 (43) ◽  
pp. 9687-9697 ◽  
Author(s):  
Stanislav I. Stoliarov ◽  
Vadim D. Knyazev ◽  
Irene R. Slagle
Keyword(s):  
Experimental Study ◽  
Gas Phase ◽  
Pressure Dependence ◽  
Rate Constants ◽  
Methyl Radicals ◽  
Product Yields ◽  
Phase Temperature ◽  
Temperature And Pressure

An experimental study of the reactivity of the hydroxide anion in the gas phase at room temperature, and its perturbation by hydration

1981 ◽  
Vol 59 (11) ◽  
pp. 1615-1621 ◽  
Author(s):  
Scott D. Tanner ◽  
Gervase I. Mackay ◽  
Diethard K. Bohme
Keyword(s):  
Experimental Study ◽  
Proton Transfer ◽  
Gas Phase ◽  
Rate Constants ◽  
Room Temperature ◽  
Gas Phase Reactions ◽  
Flowing Afterglow ◽  
Hydroxide Anion

Flowing afterglow measurements are reported which provide rate constants and product identifications at 298 ± 2 K for the gas-phase reactions of OH− with CH3OH, C2H5OH, CH3OCH3, CH2O, CH3CHO, CH3COCH3, CH2CO, HCOOH, HCOOCH3, CH2=C=CH2, CH3—C≡CH, and C6H5CH3. The main channels observed were proton transfer and solvation of the OH−. Hydration with one molecule of H2O was observed either to reduce the rate slightly and lead to products which are the hydrated analogues of the "nude" reaction, or to stop the reaction completely, k ≤ 10−12 cm3 molecule−1 s−1. The reaction of OH−•H2O with CH3—C≡CH showed an uncertain intermediate behaviour.

Computational study on the mechanisms and kinetics of the CH2CCl + O2 reaction

2020 ◽  
Vol 98 (8) ◽  
pp. 395-402
Author(s):  
Yunju Zhang ◽  
Bing He ◽  
Yuxi Sun
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Pressure Dependence ◽  
Rate Constants ◽  
Reaction Mechanisms ◽  
Energy Surface ◽  
Computational Study ◽  
Tddft Calculations ◽  
Temperature And Pressure ◽  
Kinetics Of

The potential energy surface for the CH2CCl + O2 reaction has been investigated by using the CCSD(T)/cc-pVTZ//B3LYP/6-311++G(d,p) method. Two type reaction mechanisms have been located. The H-abstraction of CH2CCl by O2 generates CHCCl + HO2 surmounting a 20.86 kcal/mol barrier. The addition between O2 and CH2CCl proceeds to an intermediate CH2CClO2 (IM1t and IM1c) without a barrier, which can further dissociate or isomerize to various products with the complicated processes. The temperature and pressure dependence rate constants for the CH2CCl + O2 reaction were computed by means of multi-channel RRKM-TST theory. Moreover, TDDFT calculations imply that IM1t, IM1c, IM2, IM4, IM5t, and IM5c will photolyze under the sunlight.

The influence of near field hydrogen on actinide solubilities and spent fuel leaching

2000 ◽  
Vol 88 (9-11) ◽  
Author(s):  
Kastriot Spahiu ◽  
L. Werme ◽  
U.-B. Eklund
Keyword(s):  
Experimental Study ◽  
Gas Phase ◽  
Hydrogen Pressure ◽  
Uranium Oxide ◽  
Near Field ◽  
Spent Fuel ◽  
Initial Amount ◽  
Temperature And Pressure ◽  
Corrosion Of Iron ◽  
Oxide Solubility

Large amounts of hydrogen are produced as a result of the anoxic corrosion of iron in the proposed container materials for some geologic repositories. Another hydrogen source, less important than the anoxic corrosion of iron, is the radiolysis of water by the spent fuel radiation. Gas phase formation occurs when the pressure of the hydrogen equals at least the hydrostatic pressure, around 5 MPa at 500 meters depth. The effects of 5 MPa hydrogen pressure on spent PWR fuel leaching and on uranium oxide solubility have been studied in carbonated solutions at 70 °C. The experiments were performed in a 1 liter autoclave, filled with 950 ml of a solution 10 mM NaCl, 2 mM NaHCOThe surface of spent fuel or U(IV) oxide is partially oxidized during storage, giving rise to relatively high levels of U(VI) in solution even during leaching in anoxic conditions. No such effect could be observed in the presence of 5 MPa hydrogen, indicating that this initial amount of U(VI) should have been reduced to U(IV). The experimental study of the influence of various parameters as temperature and pressure is still in progress.

Gas-phase reaction of chlorine atoms with acrylonitrile. Temperature and pressure dependence

2003 ◽  
Vol 377 (5-6) ◽  
pp. 571-576 ◽  
Author(s):  
Alfonso Aranda ◽  
Yolanda Dı́az de Mera ◽  
Diana Rodrı́guez ◽  
Ana Rodrı́guez ◽  
Beatriz Cabañas ◽  
...  
Keyword(s):  
Gas Phase ◽  
Pressure Dependence ◽  
Phase Reaction ◽  
Chlorine Atoms ◽  
Gas Phase Reaction ◽  
Temperature And Pressure

Temperature and Pressure Dependence of the Rate Constants of the Reaction of NO3Radical with CH3SCH3

2006 ◽  
Vol 110 (23) ◽  
pp. 7401-7405 ◽  
Author(s):  
Yukio Nakano ◽  
Takashi Ishiwata ◽  
Simone Aloisio ◽  
Masahiro Kawasaki
Keyword(s):  
Pressure Dependence ◽  
Rate Constants ◽  
Temperature And Pressure
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