Surface Science and Theoretical Chemistry - SHC4003

Assessment 3: Practice exam/test

Practice exam/test

Assessment 1: Quizzes / polls

Quizzes / polls

Assessment 4: Written assignment (coursework)

Written assignment (coursework)

Assessment 2: Written practice exercise

Written practice exercise

Assessment 1: In-Class Test

In-Class Test

Assessment 3: In-Class Test

Assessment 2: Written Assignment

Continual Assessment - series of short quizzes and problems completed in the students own time.

Performance Assessment

This module covers various aspects of advanced physical chemistry.
The properties of surfaces and the interaction of gas molecules with surfaces will be discussed. Different theories of adsorption will be compared. The kinetics of surface reactions will be related to the mechanism of the reaction. The application of surface science type measurements in developing an understanding of how atoms and molecules adsorb on surfaces will be covered.
Central to chemistry is being able to relate observation made in the laboratory to behaviour at the atomistic level and equally to use the interaction of atoms and molecules to derive quantities that can be measured at the macro-level. Thus statistical thermodynamics will be introduced and used to derive fundamental properties.
Atomistic modelling also provides a view into the molecular world and after reviewing the fundamentals of quantum mechanics the methods for approximating multi electron systems will be introduced and the applications in computational chemistry explored.
One important application of quantum mechanics which is used routinely throughout chemistry is spectroscopy. We will therefore show how the quantum definitions of the allowed vibrational and rotational energy levels of a simple harmonic oscillator and a rigid-rotor can be used to derive the observed IR and microwave spectra of diatomic molecules and introduce other related aspects of the theory relating to atomic and molecular spectroscopy.

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Reaccreditation due 2023/24.


School of Applied Sciences

<a href="https://library.hud.ac.uk/readinglists/SHC4003">https://library.hud.ac.uk/readinglists/SHC4003</a>

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Chemistry & Chemical Engineering

SHC4003 - Surface Science and Theoretical Chemistry

Surface Science and Theoretical Chemistry

have a comprehensive understanding of the above topics.

be able to combine their knowledge from different aspects of the module to explain observed phenomena from quantum mechanics, surface science and other areas of chemistry.

be able to evaluate different theories and be able to select the most appropriate for the quantitative interpretation of any particular set of data.

have an understanding of the theoretical principles incorporated in the above topics.

have an awareness of important developments in the above topics as well as the current and future challenges in these fields.