Collinear diatomic molecule-diatomic molecule collisions treated in the sudden approximation

Journal Article · Thu Jun 15 00:00:00 EDT 1989 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100349a026· OSTI ID:7022205

Tellez, S; Hays, R; Pfeffer, G A ^[1]

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1. Univ. of Nebraska, Omaha (USA)

Collinear collisions of H{sub 2} + Cl{sub 2} and O{sub 2} + Cl{sub 2} at 0.5, 1.0, 1.5, and 2.0 eV have been studied in the vibrational sudden approximation (VSA). The VSA applied only to molecule 2, the Cl{sub 2}, gives good transition probabilities for H{sub 2} + Cl{sub 2} but not for O{sub 2} + Cl{sub 2}. When the probabilities are in the range 0.1-1.0, the VSA performs excellently; with smaller probabilities, the VSA is still in qualitative agreement with exact results. The choices for n{sub 2}, the arbitrary parameter introduced in the VSA, which give the most accurate results are n{sub 2} = n{sub 2}{prime} (the final value of n{sub 2}) or n{sub 2} = (n{sub 2} + n{sub 2}{prime})/2 (the average of the initial and final values of n{sub 2}); either choice is acceptable although n{sub 2a} is more appropriate for larger {Delta}n{sub 2}. The VSA reduces the computer execution time by at least an order to magnitude compared to the exact method. The VSA applied to both colliding molecules is found to be unsatisfactory.

• OSTI ID: 7022205
• Journal Information: Journal of Physical Chemistry; (USA), Vol. 93:12; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CHLORINE
MOLECULE-MOLECULE COLLISIONS
HYDROGEN
OXYGEN
CALCULATION METHODS
DATA ANALYSIS
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
MEV RANGE 01-10
COLLISIONS
DATA
ELEMENTS
ENERGY RANGE
HALOGENS
INFORMATION
MEV RANGE
MOLECULE COLLISIONS
NONMETALS
NUMERICAL DATA
400201* - Chemical & Physicochemical Properties