Some Aspects of Energy Transfer in Molecular and Atomic Collisions. [Cross Sections, Statistical Model, Quenching ; S Matrix]. PDF Download
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Languages : en
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It is maintained that quenching of 0(1D) by collision with N2 and the ionization of Na by collision with vibrationally excited N2 proceed via the formation of a collision complex. Once the complex is formed, even a weak coupling between the two states involved, can induce a large transition probability because the crossing seam of the two potential energy surfaces is passed many times during the life of the complex. Qualitatively reasonable potential energy surfaces for 0(1D) + N2 are constructed and classical trajectory calculations carried out to show that the cross section for complex formation is indeed appreciable; a statistical model is used to determine the quenching probability of the complex; results are in good agreement with experiment. Ab initio (SCF) potential energy surface calculations are carried out for N2-Na, N2-Na, and N−2-Na systems; the points are fit to simple standard functions; a statistical model is developed for the ionization of Na by vibrationally excited N2. The classical S-Matrix theory is applied to rotational excitation of CO by collision with He; the results are in qualitative agreement with quantum mechanical calculation.
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Languages : en
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It is maintained that quenching of 0(1D) by collision with N2 and the ionization of Na by collision with vibrationally excited N2 proceed via the formation of a collision complex. Once the complex is formed, even a weak coupling between the two states involved, can induce a large transition probability because the crossing seam of the two potential energy surfaces is passed many times during the life of the complex. Qualitatively reasonable potential energy surfaces for 0(1D) + N2 are constructed and classical trajectory calculations carried out to show that the cross section for complex formation is indeed appreciable; a statistical model is used to determine the quenching probability of the complex; results are in good agreement with experiment. Ab initio (SCF) potential energy surface calculations are carried out for N2-Na, N2-Na, and N−2-Na systems; the points are fit to simple standard functions; a statistical model is developed for the ionization of Na by vibrationally excited N2. The classical S-Matrix theory is applied to rotational excitation of CO by collision with He; the results are in qualitative agreement with quantum mechanical calculation.
Author: George Elias Zahr
Publisher:
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Category :
Languages : en
Pages : 314
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Author: United States. Energy Research and Development Administration
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Category : Medicine
Languages : en
Pages : 1104
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Author: F. A. Gianturco
Publisher: Springer Science & Business Media
ISBN: 3642931227
Category : Science
Languages : en
Pages : 337
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I I These Lecture Notes are intended as an introduction to the theoretical formulation and computational aspects of the molecular energy transfer processes which take place in an increasingly sophisticated range of molecular scattering experiments. They are directed to chemistry graduate students and emphasize the quantum mechanical approach, with little or no attention to classical and semi classical treatments or to formal presentations. Several Sections of the first Chapters are based on lectures given at the Graduate School of Physics of the University of Genoa a few years ago and I thank the students for their sense of duty in following to the end all those no tation-filled blackboards and transparencies. The kind patience of my wife Carolyn in reading the whole manuscript and improving its form is gratefully acknowledged. Franco A. Gianturco Bari, September 1978 CON TEN T S FOREWORD I NTRODUCTI ON Page 1. A RESUME OF QUANTUM MECHANICAL POTENTIAL SCATTERING 1. 1. General formulation of the problem Page 5 1. 2. Solutions of the radial equation 10 " 1. 3. The method of partial waves 13 1. 4. Some properties of 61. The Born appro~imation 18 1. 5. Properties of the S-matrix: bound states and resonances 23 1. 6. Classical and semiclassical scattering,a set of defi- tions 34 References 44 2. POTENTIAL ENERGY HYPERSURFACE CALCULATIONS FOR SIMPLE SYSTEMS 2. 1. Kinematic considerations 45 2. 2. General development of a priori method 52 2. 3. Some approximate treatments 68 2. 4.
Author:
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Category : Weights and measures
Languages : en
Pages : 362
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Author: J. W. Gallagher
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Category : Atoms
Languages : en
Pages : 356
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Author: United States. Energy Research and Development Administration. Technical Information Center
Publisher:
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Category : Force and energy
Languages : en
Pages : 1682
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Category : Power resources
Languages : en
Pages : 552
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Category : Nuclear energy
Languages : en
Pages : 658
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Author: Richard Barry Bernstein
Publisher: Springer Science & Business Media
ISBN: 1461329132
Category : Science
Languages : en
Pages : 785
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The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi mental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics. One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great im portance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results. This "coming together" of the subject (and, incidentally, of physicists and chemists !), though still in an early stage, signals that the time is ripe for an appraisal and review of the theoretical basis of atom-molecule collisions. It is especially important for the experimentalist in the field to have a working knowledge of the theory and computational methods required to describe the experimentally observable behavior of the system. By now many of the alternative theoretical approaches and computational procedures have been tested and intercompared. More-or-Iess optimal methods for dealing with each aspect are emerging. In many cases working equations, even schematic algorithms, have been developed, with assumptions and caveats delineated.
