Surfaces, Polymers and Theoretical Chemistry

Please note

This document only provides information for the academic year selected and does not form part of the student contract

School:

School of Applied Sciences

Credit Rating:

Level (including FHEQ):

M (FHEQ Level 7)

Graded or Non Graded:

Graded

Version Valid From:

2021-09-01

Module Leader:

David Cooke

Version Number

2024.01

Learning Methods

Lecture

Seminar

Guided Independent Study

Requirements

Pre-requisites

Professional Body Requirements

Royal Society of Chemistry

Synopsis

This module covers various aspects of advanced physical chemistry. Polymers are an industrially important material with applications in clothing, structural materials, coatings, data storage, etc. This module covers aspects of their synthesis and relates their chemical and structural properties to their applications. The properties of surfaces and the interaction of … For more content click the Read More button below. 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. The module will provide students with a good knowledge in interfaces and catalysis the principles of theoretical chemistry and further develop problem solving skills, especially to unfamiliar problems.

This module covers various aspects of advanced physical chemistry.

Polymers are an industrially important material with applications in clothing, structural materials, coatings, data storage, etc. This module covers aspects of their synthesis and relates their chemical and structural properties to their applications.

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.

The module will provide students with a good knowledge in interfaces and catalysis the principles of theoretical chemistry and further develop problem solving skills, especially to unfamiliar problems.

Learning Strategy

Lectures will be used to deliver the majority of the material; however this will be combined with asynchronous learning via Brightspace. Tutorials, Brightspace quizzes and other asynchronous tools will be used to develop the problem solving ability of the students.

Outline Syllabus

Polymerisation techniques, kinetics and mechanisms of polymerisation.Molecular weight distributionClassification of polymer types, applications of polymers.Structure and relative reactivity of polycrystalline surfaces.Adsorption at surfaces - Langmuir and BET isotherms.Surface reactions - Langmuir-Hinshelwood and Eley-Rideal mechanisms.Application of surface science to the study of surface reactions, including the techniques of Thermal Desorption Spectroscopy, … For more content click the Read More button below.

Polymerisation techniques, kinetics and mechanisms of polymerisation.
Molecular weight distribution
Classification of polymer types, applications of polymers.
Structure and relative reactivity of polycrystalline surfaces.
Adsorption at surfaces - Langmuir and BET isotherms.
Surface reactions - Langmuir-Hinshelwood and Eley-Rideal mechanisms.
Application of surface science to the study of surface reactions, including the techniques of Thermal Desorption Spectroscopy, photoelectron spectroscopy (UPS and XPS), vibrational spectroscopy (both infrared and High Resolution Electron Energy Loss) and low energy electron diffraction (LEED).
Introduction to statistical thermodynamics.
The Boltzmann distribution, ensembles and partition functions Calculation of entropy, heat capacity and free energy based on partition functions and ensemble averages.
The QM description of the hydrogen atom and its extension to multi-electron systems. Huckel theory and other approximate solutions as a means of modelling simple organic molecules. The basis of ab-initio computational methods, DFT and Hartree-Fock.

Learning Outcomes

On successful completion of this module students will

have a comprehensive understanding of the above topics

have a systematic understanding of the theoretical principles incorporated in the above topics.

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

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

be able to systematically and creatively combine their knowledge from different aspects of the module to explain observed phenomena in materials, polymers and surface chemistry.

Formative Assessment

Assessment 1: Other

Summative Assessment

Assessment 1: In-Class Test

Assessment 2: Written Assignment

Assessment 3: In-Class Test

Assessment Criteria

Students should demonstrate a comprehensive understanding of the syllabus as well as an ability to critically evaluate different theories and demonstrate originality in the interpretation of results. This will be assessed through the test and the examination.

Course and Module Catalogue