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Theoretical investigation of mercury...

McGill University (Canada).

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Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere./
Author:	Viswanathan, Balakrishnan.
Description:	84 p.
Notes:	Adviser: P. A. Ariya.
Contained By:	Masters Abstracts International41-04.
Subject:	Chemistry, Physical. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=MQ75352
ISBN:	0612753522

Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere.
Viswanathan, Balakrishnan.

Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere. - 84 p.

Adviser: P. A. Ariya.

Thesis (M.Sc.)--McGill University (Canada), 2001.

Mercury is one of the most toxic elements present in the geosphere, present in many chemical and physical forms. Nearly uniform mixing ratios are observed within a hemisphere, the concentration being higher in the northern than in the Southern Hemisphere. Lack of kinetic data regarding mercury reactions prevents an explanation of the behaviour and deposition pathways of mercury from the atmosphere. Theoretical calculations have been carried out using DFT theory to investigate the thermodynamics and kinetics of the reactions of Hg<super>0</super> with Cl, Br, ClO, and BrO radicals and with Cl 2 and Br2. The results from these calculations were used to evaluate the kinetic rate constants at 298.15 K and 238.15 K for the reactions involving gaseous mercury. In this paper, the results of this study are presented and relevance to the chemistry of the Arctic is discussed.

ISBN: 0612753522Subjects--Topical Terms:

560527
Chemistry, Physical.

Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere.
LDR:01789nam 2200289 a 45 001 933207
005 20110505
008 110505s2001 eng d
020 $a 0612753522
035 $a (UnM)AAIMQ75352
035 $a AAIMQ75352
040 $a UnM $c UnM
100 1 $a Viswanathan, Balakrishnan. $3 1256946
245 1 0 $a Theoretical investigation of mercury reactions with halogen species in the Arctic troposphere.
300 $a 84 p.
500 $a Adviser: P. A. Ariya.
500 $a Source: Masters Abstracts International, Volume: 41-04, page: 1087.
502 $a Thesis (M.Sc.)--McGill University (Canada), 2001.
520 $a Mercury is one of the most toxic elements present in the geosphere, present in many chemical and physical forms. Nearly uniform mixing ratios are observed within a hemisphere, the concentration being higher in the northern than in the Southern Hemisphere. Lack of kinetic data regarding mercury reactions prevents an explanation of the behaviour and deposition pathways of mercury from the atmosphere. Theoretical calculations have been carried out using DFT theory to investigate the thermodynamics and kinetics of the reactions of Hg<super>0</super> with Cl, Br, ClO, and BrO radicals and with Cl 2 and Br2. The results from these calculations were used to evaluate the kinetic rate constants at 298.15 K and 238.15 K for the reactions involving gaseous mercury. In this paper, the results of this study are presented and relevance to the chemistry of the Arctic is discussed.
590 $a School code: 0781.
650 4 $a Chemistry, Physical. $3 560527
650 4 $a Environmental Sciences. $3 676987
650 4 $a Physics, Atmospheric Science. $3 1019431
690 $a 0494
690 $a 0608
690 $a 0768
710 2 0 $a McGill University (Canada). $3 1018122
773 0 $t Masters Abstracts International $g 41-04.
790 $a 0781
790 1 0 $a Ariya, P. A., $e advisor
791 $a M.Sc.
792 $a 2001
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=MQ75352