Mathematical and Analytical Methods in Chemistry I

Learning Outcomes

Learning Outcomes

Having successfully completed this module you will be able to:

• Select the appropriate analytical methods to evaluate a sample.
• Use a variety of mathematical methods to solve chemical theory and modelling problems.
• Interpret and evaluate data from a variety of analytical chemistry techniques
• Demonstrate ability to frame a problem or concept in chemistry in the form of a mathematical equation or appropriate plot.
• Demonstrate numeracy and ability to apply mathematical concepts to solve contextual problems.
• Use symbolic processing software (e.g. Mathematica) for complex calculations
• Explain the principles of a range of analytical techniques including IR, NMR, and Raman spectroscopies and mass spectrometry.
• Describe the principles and selection of sample preparation methods including preparation of standard solutions, liquid and solid phase extraction, and chromatographic separations.
• Select, use, and evaluate data sets using appropriate statistical methods.

The course covers the following mathematical concepts and skills alongside an introduction of analytical chemistry techniques. Both are presented with practice in their application to problems in Chemistry: Mathematics content - Complex numbers - Limits, differentiation and integration - Reaction kinetics modelling - Chemical process optimisation - Linear and non-linear least squares - Approximation techniques - Statistical analysis and representations of data - Symbolic processing software Chemical Analysis techniques and technology will be introduced in the context of structure determination and compositional analysis which will be place in context through the use of real case studies. Introduction to analytical methods and statistics, precision and accuracy, standard deviation, error treatment, least squares, limits of detection and quantification. The main technology covered will include those associated with: - Sample preparation and chemical separations (e.g partitioning between phases, chromatographic separations (TLC, HPLC, and GC), plate theory). - Mass spectrometry and coupling these to chromatographic techniques – introduction to mass spectrometry, ionisation, high- and low- resolution modes, precise molecular weights, resolution and isotopes, instrumentation. - Spectroscopic techniques for chemical identification – IR, Raman, and NMR. Instrumentation, data collection, and interpretation.

Lectures, industrial case studies and problem-solving workshops.

Summative

This is how we’ll formally assess what you have learned in this module.