Advanced Chemical Reaction Engineering

Overview

STAFF

NAME CONTRIBUTION
Dr Nancy Artioli.
n.artioli@qub.ac.uk Contribution: 27 hrs Lectures: Heterogeneous catalytic reactions.
Dr Lorenzo Stella l.stella@qub.ac.uk Contribution: 9 hrs Lectures, 4 hrs Computer Workshops: Modelling transport and reaction in a catalytic filter.
Dr Claire McAtee
c.mcatee@qub.ac.uk Contribution: 10 hrs workshops.



Course Summary:
The course will cover the advanced aspects of kinetics, data acquisition, data interpretation, heterogeneous catalysis, and heat and mass transfer. The students will acquire knowledge about different heterogeneous catalysis for environmental protection and they will be able to apply chemical engineering principles to model kinetic behaviour of catalytic system for exhaust gas cleaning.
The course will be taught partly by means of examples from research, showing how the basics of catalysis, advanced catalyst preparation, catalyst characterization and modelling are used to understand and develop catalytic systems in this field.

Prerequisites:
This course builds on previous content covered throughout your degree to date. As such, the course team has an expectation of prior learning outcomes being met from earlier modules. More specifically, the course team expects B-level mathematical skills, including confidence with differential and integral calculus, matrix and vector operations, solutions of ordinary differential equations, partial differentiation basics programming skills with MATLAB, 2D and 3D data visualisation, B-level competence in thermodynamic principles, catalysis, chemical reactions, reactor design, reaction equilibrium, application of chemical reaction engineering principles and development of catalytic reactor model and designs, application of kinetic equations to the design of reacting systems based on CHE2105 and CHE3101.

Module content:
Heterogeneous catalytic reactions:
• Basic introduction into heterogeneous catalysis
• Preparation of heterogeneous catalysts
• Characterization of heterogeneous catalysts
• Exhaust gas catalysis for internal combustion engines: Three-way-catalysis, oxidation catalysts, selective catalytic reduction, NOx storage reduction catalyst, soot filtration/oxidation, methane oxidation, SOx, volatile organic compounds
• Relevant experiments on the topic emission control, catalyst characterization
• Development of kinetic modelling: kinetics of heterogeneous catalytic reactions.
• Derivation of rate expressions.
• Effects of transport limitations on rates of solid-catalysed reactions: verification of heat and mass transfer limitation.
• Introduction to monolith reactor modelling: mass, energy and momentum transport.
• Screening of experimental data and fitting for chemical reactions
• Model discrimination and statistical analysis.


Modelling transport and reaction in a catalytic filter:
• Full transport equations, including non-ideal flow, reactions, and non-isothermal condition
• Method of solutions and approximations
• Finite element method implementation, general aspects
• Solution of the isothermal 3D model of the wall-through and flow-through catalytic filters using COMSOL® Multiphysics®. Comparison with the simplified 1D model solutions.
• Full 3D solution of the non-isothermal model of the wall-through and flow-through catalytic filters using COMSOL® Multiphysics®. Comparison with the simplified 1D model solutions.

• Revision

Learning Objectives

On completion of this module a learner should be able to:
• General learning outcomes:
• Students will build on and further develop the learning and skills from Level 3 and enhance their knowledge in chemical reactions.
• Specific learning outcomes:
• Knowledge, evaluation of current and emerging technologies in catalytic conversion.
• Design and critical appraisal of a kinetic model for after-treatment devices
• Further extend their knowledge relating to the use of MATLAB® and COMSOL® Multiphysics® as tools for solving and aiding in chemical reaction problem solving.
• Further develop their knowledge in reaction kinetics for heterogeneous catalytic reactions.
• Critical evaluate the important of heat and mass transfer limitation in chemical reactions.
• Enhance skills in data processing and model development.
• Further develop their knowledge in solving non-steady state problems for chemical reactions.
• Enhance skills in numerical methods development

Skills

Learners are expected to demonstrate the following on completion of the module:
• STEM – Core skills in underlying physics, chemistry and math are applied to solving problems including mass and energy balances, efficiency calculations and economic evaluation.
• Core chemical engineering skills in thermodynamics and reaction engineering
• Computational and modelling skills
• Critical thinking skills – Students can critically evaluate different options and present thought through analysis of chemical processes.
• Analytical – Evaluation of data and its use.

Assessment

Assessment:
Continuous Assessment 50 %
Examination 50%

Course Requirements:
Continual assessment Mark Veto at 40 %
Examination Mark Veto at 40%
Module Pass Mark Veto at 40 %