MChem Chemistry with International Study / Course details

Solutions and Electrochemistry (Professor Robert Dryfe, 8 lectures)

• Definition and interrelation of mole fraction, molality, molarity.

• Chemical potential: ideal and non-ideal liquid mixtures.

• Electrolyte solutions and their non-ideality: the Debye-Huckel Law.

• Electrode potentials.

• Electrochemical cells and applications.

Computational Chemistry I (Electronic Structure Theory - Dr Nicholas Chilton, 8 lectures)

• Introduction to computational chemistry: overview and challenges.

• Solutions of hydrogenic atoms: radial and angular wave functions.

• Many-electron atoms and electronic states.

• Molecular orbital theory:  LCAO and the Hückel method.

• Principles of quantum chemistry and the electronic structure of some simple molecules.

Computational Chemistry II (Methods and Application - Dr Neil Burton, 8 lectures)

• Molecular coordinates, the potential energy surface and stationary points.

• Introduction to geometry optimization and conformational analysis.

• Molecular mechanics and force-fields.

• Quantum chemistry methods: application and approximations (including DFT).

• Molecular simulation: classical molecular dynamics and ensemble properties.

After attending all lectures and completing the workshop/tutorial work, you will be able to:

• Progress your understanding of the core concepts of physical and theoretical chemistry, especially solutions and electrochemistry, electronic structure and computational chemistry
• To foster related skills in practical physical chemistry.
   

• Standard 3 blocks of 8 x 1 hour lectures (including 3 x 1 hour workshop/examples class) with supplementary information, including additional notes will be available.
• Tutorials/workshops/examples classes.
• Online computer tests will be available in blackboard.
• Feedback Questions on the lectures, together with worked answers, will be discussed in tutorials/workshops/examples classes.

Students should be able to:

• Understand the basic thermodynamic principles of solutions and practical applications to electrochemistry.
• Understand basic quantum mechanical principles to understand the electronic structures and properties of multi-electron atoms and molecules.
• Understand the fundamental principles of common computational methods of quantum chemistry and molecular simulation.

Students should be able to:

• Use the concepts of physical and theoretical chemistry to explain the properties of solutions and apply these to electrochemical systems.
• Use the concepts discussed in the course to apply computational chemistry methods to study chemical structure, properties and reactions.

Students should be able to:

• apply the relevant theoretical skills in practical physical chemistry
• apply basic computational chemistry software to study the properties of molecules.

Problem solving, numeracy and mathematical and ICT.

• formative assessment/feedback in Blackboard
• exam questions/multiple choice during lecture
• feedback from tutors marking and commenting on submitted work

• P. Atkins and J de Paula, Atkins' Physical Chemistry (9th Ed), Oxford, 2009
• A. Hinchliffe, Molecular Modelling for Beginners, Wiley, 2003.