1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Energy transfer between azulene and krypton: Comparison between experiment and computation
Rent:
Rent this article for
USD
10.1063/1.2207608
/content/aip/journal/jcp/125/13/10.1063/1.2207608
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2207608

Figures

Image of FIG. 1.
FIG. 1.

Intermolecular global potential of azulene-Kr for four potentials: Lennard-Jones (LJ), , , and atom-bond (AB) at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 2.
FIG. 2.

Intermolecular dynamic global potential of azulene-Kr for four potentials: Lennard-Jones (LJ), , , and atom-bond (AB) at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 3.
FIG. 3.

of azulene-Kr for four potentials: Lennard-Jones (LJ), , , and atom-bond (AB) at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 4.
FIG. 4.

of azulene-Kr for atom-bond and Lennard-Jones (LJ)-AIM potentials at three rotational temperatures, an internal excitation of , and a relative translational energy of . (a) , (b) , and (c) .

Image of FIG. 5.
FIG. 5.

Individual supercollision trajectories of azulene-Kr as a function of impact parameter for atom-bond potential at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 6.
FIG. 6.

of azulene-Kr for atom-bond potential at a rotational temperature of at all impact parameters (엯) and impact parameter (◇), internal excitation of , and relative translational energies of (a) , (b) , and (c) .

Image of FIG. 7.
FIG. 7.

Average energy transferred in a bin of in up- and down-collisions as a function of collision duration for atom-bond potential at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 8.
FIG. 8.

Average energy transferred in up- and down-collisions weighted by the probability of having a collision at a given as a function of collision duration for atom-bond potential at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 9.
FIG. 9.

Experimental (expt) and computed up-collision of azulene-Kr for four potentials: Lennard-Jones (LJ), , , and atom-bond (AB) at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Image of FIG. 10.
FIG. 10.

Experimental and computed down-collision of azulene-Kr for four potentials: Lennard-Jones (LJ), , , and atom-bond (AB) at a rotational temperature of and an internal excitation of . Relative translational energy: (a) , (b) , and (c) .

Tables

Generic image for table
Table I.

Experimental and calculated normal mode frequencies of azulene.

Generic image for table
Table II.

Intermolecular parameters and charge distributions, in , on the atoms of azulene. The integers in the table refer to the numbering system in Appendix A [Lennard-Jones intermolecular potential parameters (Ref. 60) C–Kr: , ; H–Kr: , ; ].

Generic image for table
Table III.

Energy transfer quantities for four intermolecular potentials in Kr-azulene collisions. in units of and in picoseconds. Excitation : rotational .

Generic image for table
Table IV.

Energy transfer quantities in Kr-azulene collisions for impact . in units of and in picosecond. Excitation , rotational , and atom-bond intermolecular potential.

Loading

Article metrics loading...

/content/aip/journal/jcp/125/13/10.1063/1.2207608
2006-10-02
2014-04-17
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Energy transfer between azulene and krypton: Comparison between experiment and computation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/13/10.1063/1.2207608
10.1063/1.2207608
SEARCH_EXPAND_ITEM