✦ LIBER ✦

A quantum-mechanical model of heterogeneous catalysis

✍ Scribed by V.Z. Kresin; W.A. Lester Jr.

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 538 KB
Volume: 197
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)86011-6

No coin nor oath required. For personal study only.

✦ Synopsis

A quantum-mechanical model for heterogeneous catalytic reactions is developed based on the reaction Hamiltonian method developed by the authors. It is shown that the presence of the surface leads to additional channels of reaction. These are found to dominate the exponential smallness of the reaction probability of the direct channel producing large reaction probabilities for surface-catalyzed reactions. The dependence of catalytic reaction probability on reactant dissociation energy and vibrational frequencies, and the leakage of the electronic wavefunction out of the surface is discussed.

📜 SIMILAR VOLUMES

Quantum mechanical models in catalysis

✍ A. L. Tchougréeff 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 728 KB

We applied general quantum mechanical ideas in order to establish the form of the many-electron wave functions suitable for analysis of catalytic processes. This led us to the conclusion that the relevant wave functions for the electrons of the catalytic complexes must be taken as superpositions of

Mechanical Catalysis || A Conceptual Uni

Mechanical Catalysis || A Conceptual Unification of Heterogeneous, Homogeneous, and Enzymatic Catalysis

✍ Swiegers, Gerhard F. 📂 Article 📅 2008 🏛 John Wiley & Sons, Inc. 🌐 English ⚖ 323 KB 👁 2 views

This Book Examines The Principles Of Mechanics As They Apply To Chemistry And, More Particularly, Catalysis. It's A Unique, Comprehensive Resource Focusing On Unconventional Time-dependent (mechanical) Catalysis, Instead Of The More Familiar Energy-dependent (thermodynamic) Catalysis. A Key Resource

Mechanisms of Asymmetric Heterogeneous C

Mechanisms of Asymmetric Heterogeneous Catalysis

✍ D. Yu. Murzin; P. Maeki-Arvela; T. Salmi 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 49 KB 👁 2 views

Quantum mechanical study of a reaction p

Quantum mechanical study of a reaction path bifurcation model

✍ Paulette B. Middleton; Róbert E. Wyatt 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 388 KB

Analysis of Simple Kinetic Models in Het

Analysis of Simple Kinetic Models in Heterogeneous Catalysis

✍ H. Lynggaard; A. Andreasen; C. Stegelmann; P. Stoltze 📂 Article 📅 2005 🏛 John Wiley and Sons ⚖ 8 KB

Electronically non-adiabatic chemical re

Electronically non-adiabatic chemical reactions: A collinear quantum-mechanical model

✍ Michael Tamir 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 782 KB

1974 '. ,A quantum-mechnnka1 model for nowidiabatic collinear'chemic~l &actions witly idealized potcntk1 crier@ surfaces is prcscfited. A strong dependence of the reacijon's outcome dn the enere) pp between.thc electronic surfacesis minifated and the efficicnt,vibrational populatibn-inversion found