CH3CC2NU: Chemistry Core 2 (Physical and Analytical) (NUIST)

Module code: CH3CC2NU

Module provider: Chemistry; School of Chemistry, Food and Pharmacy

Credits: 20

Level: Level 3 (Honours)

When you'll be taught: Semester 1

Module convenor: Dr Joanne Elliott, email: j.m.elliott@reading.ac.uk

NUIST module lead: Hui Cao, email: yccaoh@hotmail.com

Pre-requisite module(s): BEFORE TAKING THIS MODULE YOU MUST TAKE CH2PH2NU OR ( TAKE CH2PH1NU AND TAKE CH2AN3NU ) (Compulsory)

Co-requisite module(s):

Pre-requisite or Co-requisite module(s):

Module(s) excluded:

Placement information: NA

Academic year: 2024/5

Available to visiting students: No

Talis reading list: Yes

Last updated: 21 May 2024

Overview

Module aims and purpose

The module purpose is for you to be able to further develop and apply analytical and physical theory and techniques to modern current chemical topics. 

You will develop your knowledge of both physical and analytical chemistry by studying the core topics in some depth. In lectures you will learn key concepts and in workshops you will explore your understanding and have the opportunity to gain skills by the application of knowledge.  

Bo Xiao (boxiao_nuist@163.com) will also be teaching on this module.

Module learning outcomes

By the end of the module, it is expected that students will be able to:

1. Quantitatively assess and interpret data from mass spectrometry, electrochemistry, X-ray spectroscopy, electron microscopy and colloid chemistry;
2. Analyse and present data in an appropriate format;
3. Critically assess taught analytical techniques for applicability in novel situations;
4. Demonstrate the ability to solve problems in quantum and computational chemistry.

Module content

Colloid Chemistry and Electrode Kinetics (6 lectures + 2 workshops)  

Lyophobic colloids, preparation method, colloid stability, DVLO theory and double layer theory. Overpotential, Butler Volmer equation, Tafel equations and limiting current. 

Cyclic Voltammetry (4 lectures + 1 workshop) 

Principal types of electrochemical cells. Cyclic voltammetry at microelectrodes and its application in inorganic and coordination chemistry. Electrocatalytic and electrode-catalysed reactions. 

Quantum Mechanics (4 lectures + 1 workshop) 

Review of the breakdown of classical mechanics. Understanding the Schrödinger equation, operators and wavefunctions. The Born interpretation. The uncertainty principle. Finding solutions for simple systems: Particle in a box, particle on a ring, simple harmonic oscillator. Understanding complexity: More than one particle in a box, introduction to ab-initio calculations, orbitals and the hydrogen atom. 

X-ray Fluorescence and Photoelectron Spectroscopies and Electron Microscopy (4 lectures + 1 workshop) 

UV- and X-ray photoelectron spectroscopy and their role in studying molecular structure and bonding. X-ray fluorescence and its use in elemental analysis; Moseley’s law; portable XRF and it use in fieldwork. The concept of resolution in microscopy, diffraction limit. Advantages of electron microscopy. Transmission electron microscopy (TEM) - important components, origin of contrast in TEM images, effects of chromatic and spherical aberration and astigmatism. will be explained. Examples of using TEM in solid state chemistry. 

Mass spectrometry (4 lectures + 1 workshop) 

Introduction to radiocarbon dating, AMS, ICP-MS, SIMS and mass spectrometry imaging, modern mass analysers such as orbitraps and analysers hyphenated with ion mobility, further spectral interpretation, revision of basic concepts in mass spectrometry. 

Quantum Chemistry (6 lectures + 2 PC classes) 

Quantum chemistry models vs classical force fields; General approximations in electronic structure calculations; Hartree-Fock (HF) theory; The concepts of exchange and correlation; Post-HF methods (CI, MPn, etc.); Density functional theory (DFT) and its limitations; Post-DFT methods (hybrid functionals and DFT+U); Pseudopotentials; Electronic structure calculations in solids. 

Seminars (4 sessions)

Structure

Teaching and learning methods

Core material will be delivered in lectures (=28) and accompanied by workshops (=7) and PC classes (=2) to develop skills in the application of knowledge. Revision sessions (=4) will develop confidence in problem solving and application of knowledge. 

Study hours

At least 36 hours of scheduled teaching and learning activities will be delivered in person, with the remaining hours for scheduled and self-scheduled teaching and learning activities delivered either in person or online. You will receive further details about how these hours will be delivered before the start of the module.

Please note the independent study hours above are notional numbers of hours; each student will approach studying in different ways. We would advise you to reflect on your learning and the number of hours you are allocating to these tasks.

Semester 1 The hours in this column may include hours during the Christmas holiday period.

Semester 2 The hours in this column may include hours during the Easter holiday period.

Summer The hours in this column will take place during the summer holidays and may be at the start and/or end of the module.

Assessment

Requirements for a pass

Students need to achieve an overall module mark of 40% to pass this module.

Summative assessment

Penalties for late submission of summative assessment

The Support Centres will apply the following penalties for work submitted late:

Assessments with numerical marks

• where the piece of work is submitted after the original deadline (or any formally agreed extension to the deadline): 10% of the total marks available for that piece of work will be deducted from the mark for each working day (or part thereof) following the deadline up to a total of three working days;
• the mark awarded due to the imposition of the penalty shall not fall below the threshold pass mark, namely 40% in the case of modules at Levels 4-6 (i.e. undergraduate modules for Parts 1-3) and 50% in the case of Level 7 modules offered as part of an Integrated Masters or taught postgraduate degree programme;
• where the piece of work is awarded a mark below the threshold pass mark prior to any penalty being imposed, and is submitted up to three working days after the original deadline (or any formally agreed extension to the deadline), no penalty shall be imposed;
• where the piece of work is submitted more than three working days after the original deadline (or any formally agreed extension to the deadline): a mark of zero will be recorded.

Assessments marked Pass/Fail

• where the piece of work is submitted within three working days of the deadline (or any formally agreed extension of the deadline): no penalty will be applied;
• where the piece of work is submitted more than three working days after the original deadline (or any formally agreed extension of the deadline): a grade of Fail will be awarded.

The University policy statement on penalties for late submission can be found at: https://www.reading.ac.uk/cqsd/-/media/project/functions/cqsd/documents/qap/penaltiesforlatesubmission.pdf

You are strongly advised to ensure that coursework is submitted by the relevant deadline. You should note that it is advisable to submit work in an unfinished state rather than to fail to submit any work.

Formative assessment

Formative assessment is any task or activity which creates feedback (or feedforward) for you about your learning, but which does not contribute towards your overall module mark.

Students can receive feedback on their work during the workshop and seminar sessions. 

Reassessment

Additional costs