| Type: | Ph.D.-level, Open University
Language: English |
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Previous course: C2230
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No credit points with: C2230
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Prerequisite: C2207/21263/C1555/10201.C2061/21270
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Recommended semester: 6th semester
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Scope and form: Lectures and problem solving
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Examination: Written exam (13-scale)
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| Contact person: | Niels Engholm Henriksen, Building 206, Tel. +45 4525 2029, email neh@kemi.dtu.dk |
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Department: Department of Chemistry
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Aim: To develop an understanding of the relation between molecular structure, dynamics and reaction kinetics, and thereby provide an insight into the microscopic description of elementary chemical reactions, including methods for a theoretical calculation of rate constants. The course gives a basic insight of general interest for the understanding of chemical reactions, and form the basis for more advanced projects in molecular reaction dynamics.
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Contents: From microscopic dynamics to macroscopic kinetics. Atomic and molecular interactions, potential energy surfaces. Quantum and classical dynamics of uni- and bi-molecular reactions. Statistical approach to reaction dynamics at thermal equilibrium: Transition state theory and the calculation of rate constants for uni-(RRKM theory) and bi-molecular reactions. Interpretation of activation energy. Theories for reactions in solution and on solid surfaces. Experimental techniques in molecular reaction dynamics, including femtosecond chemistry.
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