Paper Title:
Evaluation of the Thermochemical Properties for Tropospheric Ozone Reactions
  Abstract

The thermochemical properties of varieties of species involved in the formation and consumption or destruction of tropospheric ozone during chemical reactions have been established. Ozone in the troposphere is produced during the day-time; hence it is a photochemically induced transformation process. This compound acts as precursor specie in many atmospheric transformations and constitutes a baseline component worth investigating. This study utilized electronic structure methods of computational model chemistries to evaluate for Gibbs free energies and enthalpies of formation and reactions of the various species. Ten prominent gas-phase and aqueous-phase reactions were analysed using five computational approaches consisting of four ab initio methods and one density functional theory (DFT) method. The computed energy values in comparison to those obtained through experimental approaches yielded an error of mean absolute deviation of 0.81%. The most relevant species that tend to enhance the production of ozone in the troposphere were O* and H2O2 for the gas-phase and aqueous-phase reactions respectively. Chemical equilibrium analysis indicated that the ozone formation and consumption reactions are more favourable in colder regions and at winter.

  Info
Pages
39-45
DOI
10.4028/www.scientific.net/JERA.1.39
Citation
G.O. Umosekhaimhe, S.A. Omhenke, "Evaluation of the Thermochemical Properties for Tropospheric Ozone Reactions", International Journal of Engineering Research in Africa, Vol. 1, pp. 39-45, 2010
Online since
February 2010
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Ryuji Matsumoto, Katsushi Tanaka, Kyosuke Kishida, Haruyuki Inui
Abstract:The effect of hydrostatic pressure mechanically applied to hydride on the equilibrium hydrogen gas pressure and temperature have been...
217
Authors: Ke Xu Jiang, Da Wei Fang, Han Wang, Bao Xin Wang, Ying Xiong, Yu Chun Zhai
Abstract:In solvent extraction system of perrhenate with the extractant of N235 at high concentration, the equilibrium molalities of ReO4- were...
890
Authors: Rui Xiang Wang, Mo Tang Tang, Jing He, Sheng Hai Yang
Chapter 4: Metallurgy Materials and Environmental Engineering
Abstract:Thermodynamics of Pb(II) complex equilibrium in Pb(II)-NH3-NH4Cl-H2O system were studied using the double...
397
Authors: Chun Hua Yang, Gang Chen, Long Zhang
Chapter 14: Chemical Thermodynamics and Kinetics
Abstract:Seven systems of one-step synthesis of aniline were designed, and it was determined which one could occur spontaneously through the...
2607
Authors: Shao Hua Chen, Yu Bin Jiao, Xiao Na Zhang, Yin Yin Su, Run Ping Han
Chapter 1: Chemical Engineering and Technologies
Abstract:The research was designed to test the properties of Iron-Oxide-Coated-Zeolite (IOCZ) for adsorption of methyl orange (MO) from synthetic...
33