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CH3F1 - Advanced Physical Chemistry and Laboratory

  • Module code: CH3F1
  • Module name: Advanced Physical Chemistry and Laboratory
  • Department: Chemistry
  • Credit: 15

Content and teaching | Assessment | Availability

Module content and teaching

Principal aims

This module provides an introduction to two advanced topics in physical chemistry; molecular modelling and interfacial chemistry. First, this module will develop students' knowledge of the properties of surfaces and interfaces, and the methods available for characterizing them. Here, students will be introduced to the physical chemistry of a range of surface and interfacial processes, including both solid and liquid interfaces, as well as experimental methods such as atomic force microscopy and scanning tunnelling microscopy. A significant aspect of this module is to demonstrate the importance of surfaces processes in chemistry and the borders of chemical engineering, biomedical science, materials science and physics. Second, students will be introduced to basic concepts in molecular modelling, focussing on molecular dynamics simulations using empirical force-fields. Starting from the Born-Oppenheimer approximation, this part of the module will cover the basics of molecular dynamics simulations, including periodic boundaries, integration algorithms, and implementation of different thermodynamic ensembles. As well as providing a firm grounding in the theoretical basis of molecular dynamics simulations, this module will also emphasize what properties can be calculated, and the connection between molecular dynamics and statistical mechanics. A common theme which runs throughout these two parts of the module will be the use of computation to help interpret experimental data. This will be emphasized in both parts of the module through a range of examples taken from recent literature. As well as standard lectures, these aims will be supported by experimental laboratory sessions which have an emphasis on designing and implementing experiments; particular examples include using atomic force microscopy to study the structure of adsorbates on surfaces and spectroscopic investigation of functionalized gold nanoparticles. In a similar manner, the theoretical and computational aspects of this course will be supported by workshops sessions with an emphasis on giving practical experience of running classical molecular simulations.

Principal learning outcomes

By the end of the module the student should be able to: Understand the importance and scope of interfacial chemistry. Understand in basic terms what a contact angle on a solid surface indicates Have an appreciation for classical aspects of the subject, including liquid surfaces, surfactants and monolayer films. Index simple crystal surfaces using Miller indices Appreciate the types of defects that are commonly found on solid surfaces and their consequences for reactivity Understand why some surface science experiments are conducted under UHV conditions and how clean single crystals are prepared Have a general perception of the technical requirements needed to obtain UHV conditions Understand the principles and some of the applications of common surface spectroscopic methods; Understand the principles of STM (tunnelling) Appreciate the applications of STM to surface structure, adsorption, reactivity and manipulation. Understand the principles of AFM Describe the theoretical background of classical molecular dynamics simulations Describe a typical empirical force-field for modelling interactions between atoms and molecules in condensed-phase environments. Analyse a given chemical problem to decide whether the problem is amenable to molecular modelling and, if so, design a suitable computational protocol. Apply computational chemistry techniques to illustrative problems, analyse the results and critically interpret their significance. Understand the connection between molecular dynamics simluations and classical statistical mechanics. Be aware of the types of properties which can and cannot be calculated in classical molecular dynamics simulations with empirical force-fields. Be able to design a physical chemistry experiment making use of information from scientific literature Plus one of the following: Understand how AFM works practically and how to analyse force curves Understand how the STM technique works in practice Appreciate the working principle of the electron analysers and the photon sources Use optical spectroscopy methods to characterize semiconducting polymers and nanoparticles.

Timetabled teaching activities

Duration: 6 weeks 20 hrs lectures 7 hrs workshops 1 seminar by an invited external speaker 30 hrs lab classes

Departmental link

http://go.warwick.ac.uk/CH3F1

Other essential notes

Pre-requisites: CH249

Module assessment

Assessment group Assessment name Percentage
15 CATS (Module code: CH3F1-15)
D (Assessed/examined work) Assessed Course Work 33%
Examination - March 67%
Assessed Course Work 100%

Module availability

This module is available on the following courses:

Core
  • Undergraduate Biomedical Chemistry with Intercalated Year (B9F1) - Year 4
  • Undergraduate Biomedical Chemistry (BF91) - Year 3
  • Undergraduate Chemistry 3 Year Variants (F100) - Year 3
  • Undergraduate Chemistry (with Intercalated Year) Variants (F101) - Year 4
  • Undergraduate Master of Chemistry Variants (F105) - Year 3
  • Undergraduate Master of Chemistry (with Intercalated Year) (F107) - Year 3
  • Undergraduate Master of Chemistry (with Intercalated Year) (F107) - Year 4
  • Undergraduate Chemistry 3 Year Variants (F121) - Year 3
  • Undergraduate Chemistry (with Intercalated Year) Variants (F122) - Year 4
  • Undergraduate Master of Chemistry Variants (F125) - Year 3
  • Undergraduate Master of Chemistry with Medicinal Chemistry(with Intercalated Year) (F127) - Year 3
  • Undergraduate Master of Chemistry with Medicinal Chemistry(with Intercalated Year) (F127) - Year 4
  • Undergraduate Chemical Biology MChem with Intercalated Year (F1C1) - Year 3
  • Undergraduate Chemical Biology MChem with Intercalated Year (F1C1) - Year 4
  • Undergraduate Chemistry with Management (F1N1) - Year 3
  • Undergraduate Chemistry with Management (with Intercalated Year) (F1N2) - Year 4
  • MChem Chemical Biology (FC11) - Year 3
Optional Core

N/A

Optional

N/A