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Vibrational energy transfer in collisions: A new semiclassical study
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10.1063/1.2101445
/content/aip/journal/jcp/123/17/10.1063/1.2101445
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/17/10.1063/1.2101445

Figures

Image of FIG. 1.
FIG. 1.

The angle-averaged interaction potential is shown as a function of the intermolecular distance . Curve 1 is Pot I; curve 2 is Pot II.

Image of FIG. 2.
FIG. 2.

Landau-Teller plot of the V-T relaxation rate constant for the process in the high-temperature range. The rate constants calculated with the potential-energy surface Pot I and Pot II are shown by the full line and dot-dashed line, respectively. The rate constants calculated in Ref. 11 are shown by the dotted line. The experimental data (Ref. 4) are shown by crosses (×).

Image of FIG. 3.
FIG. 3.

Landau-Teller plot of the V-T relaxation rate constants for the process in the overall temperature range. The rate constants calculated with Pot I and with Pot II are shown by the full line and dot-dashed line, respectively. The theoretical rate constants calculated in Ref. 33 are indicated by (+). Experimental data: Ref. 4 (×), Ref. 5 (◻), and Ref. 8 (▴). The solid circle (●) corresponds to the experimental data from Ref. 6; the interval corresponding to the thick solid line refers to the experimental data from Ref. 7. The liquid-nitrogen data from Refs. 9 and 10 at are shown by a bar.

Image of FIG. 4.
FIG. 4.

Semiclassical V-T rate constant for the process as a function of the gas temperature. Full line: Pot I; dashed line: Pot I without the contribution of the term.

Image of FIG. 5.
FIG. 5.

Semiclassical V-V rate constant for the process as a function of . Full line: Pot I; dashed line: Pot I without the contribution of the term. The BF rates of Ref. 11 are shown by the dot-dashed line.

Image of FIG. 6.
FIG. 6.

(a) Semiclassical exothermic rate constants for the process as a function of temperature. Filled circles: Pot I; empty circles: Pot II. The rate constants of Ref. 11 are shown by (+). (b) Semiclassical exothermic rate constants for the process shown as a function of . Filled circles: Pot I; empty circles: Pot II. The rate constants of Ref. 11 are shown by (+).

Image of FIG. 7.
FIG. 7.

(a) The exothermic semiclassical rate constants for the process are reported as a function of the vibrational quantum number . The rate constants calculated with Pot I and Pot II are shown by the filled (●) and empty (엯) circles, respectively. The rate constants calculated in Ref. 11 are shown by (+). The gas temperature is . (b) Exothermic rate constants for the process reported as a function of the vibrational quantum number at . Filled circles (●): Pot I. Theoretical rates from Ref. 34: empty triangles (▵). (c) Semiclassical exothermic rate constants for the process shown as a function of the vibrational quantum number at . Filled circles: Pot I. Data from Ref. 11 (+).

Tables

Generic image for table
Table I.

Molecular parameters (Ref. 27) for .

Generic image for table
Table II.

Short-range and long-range parameters assumed for the interaction potentials.

Generic image for table
Table III.

Position and well depth of the angle-averaged interaction potential.

Generic image for table
Table IV.

The experimental and theoretical V-T/R deactivation rate constants at and .

Generic image for table
Table V.

Exothermic rate constants for the double-quantum V-V exchange processes. calculated at different temperatures. (Pot I was used.)

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/content/aip/journal/jcp/123/17/10.1063/1.2101445
2005-11-02
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational energy transfer in N2–N2 collisions: A new semiclassical study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/17/10.1063/1.2101445
10.1063/1.2101445
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