(HE, H-2(+)) DYNAMICS - A PHASE PORTRAIT ANALYSIS

被引:8
作者
RAHAMAN, A [1 ]
SATHYAMURTHY, N [1 ]
机构
[1] INDIAN INST TECHNOL,DEPT CHEM,KANPUR 208016,UTTAR PRADESH,INDIA
关键词
D O I
10.1021/j100099a007
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
By a detailed analysis of the phase portrait of collinear nonreactive (He, H-2(+)) collisions plotted in terms of Poincare surface of section, we show that there exists an intermolecular bottleneck which can be identified with the zero-order separatrix. It is shown that the regular trajectories do not cross the intermolecular bottleneck, but the irregular trajectories do. While a large number of irregular trajectories enter through the flux-in region and exit through the flux-out region of the bottleneck, in conformity with the earlier findings of Davis and Gray for (He, I-2) collisions, a significant number of trajectories enter directly, presumably due to the fact that these trajectories traverse through the product channel of the configuration space although the energy of the system is well below the reaction threshold. This is reinforced by the observation that, with a decrease in energy, a larger number of irregular trajectories enter through the flux-in region. The fractal characteristics of the action-angle plots revealed in our earlier study (J. Chem. Phys. 1991, 95, 4160) are related to the existence of concentric layers of ''baseball bat'' like structures in phase space. We also identify ''islands'' in the phase space corresponding to quasiperiodic motion of bound trajectories in the neighborhood of chaotic scattering trajectories.
引用
收藏
页码:12481 / 12485
页数:5
相关论文
共 20 条
[1]   FINE-STRUCTURE IN THE DEPENDENCE OF FINAL CONDITIONS ON INITIAL CONDITIONS IN CLASSICAL COLLINEAR H2+H DYNAMICS [J].
AGMON, N .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (03) :1309-1316
[2]   FRACTALS AND RESONANCES IN COLLINEAR (HE,H2+) COLLISIONS [J].
BALASUBRAMANIAN, V ;
MISHRA, BK ;
BAHEL, A ;
KUMAR, S ;
SATHYAMURTHY, N .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (06) :4160-4167
[3]   EXTENDED CHAOS AND DISAPPEARANCE OF KAM TRAJECTORIES [J].
BENSIMON, D ;
KADANOFF, LP .
PHYSICA D, 1984, 13 (1-2) :82-89
[4]   UNIMOLECULAR REACTIONS AND PHASE-SPACE BOTTLENECKS [J].
DAVIS, MJ ;
GRAY, SK .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5389-5411
[5]   A DYNAMIC WHITE SPOT ON THE POTENTIAL-ENERGY SURFACE - THE CLOSE INTERACTION REGION OF THE COLLINEAR HYDROGEN TRANSFER-REACTION F+DBR-]FD+BR [J].
GERTITSCHKE, PL ;
KIPROF, P ;
MANZ, J .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :941-952
[6]   MULTIPLE-COLLISION REGION IN NON-REACTIVE ATOM-DIATOM COLLISIONS [J].
GOTTDIENER, L .
MOLECULAR PHYSICS, 1975, 29 (05) :1585-1595
[7]   DYNAMICS OF THE ENDOTHERMIC REACTION HE+H-2+-]HEH++H ON AN ACCURATE ABINITIO POTENTIAL-ENERGY SURFACE [J].
JOSEPH, T ;
SATHYAMURTHY, N .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) :704-714
[8]   KAM TORI, CHAOTIC MOTION AND EXACTLY INTEGRABLE ISLANDS FOR A NON-DIFFERENTIABLE HAMILTONIAN SYSTEM [J].
KOB, W ;
SCHILLING, R .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1989, 22 (13) :L633-L639
[9]   TRANSPORT IN HAMILTONIAN-SYSTEMS [J].
MACKAY, RS ;
MEISS, JD ;
PERCIVAL, IC .
PHYSICA D, 1984, 13 (1-2) :55-81
[10]  
Mandelbrot B. B., 1982, FRACTAL GEOMETRY NAT, P1