Chemical Reactor Design and Process Integration

Overview

Staff:
NAME CONTRIBUTION
Jehad Abu-Dahrieh Thermodynamics of Chemical Reactions
Kevin Morgan Catalysts and catalytic reactors.
Alex Goguet (Module Co-ordinator) Reactor Theory And Design
John Holbrey Resources in the Energy and Chemical Industries
Alex Goguet Optimisation of catalytic reactions
Danai Poulidi Exergy analysis and Process Integration
Abul Hassan Reactor Design and Simulation Techniques
Abul Hassan Multiphysics CFD Simulation for Reactor Design

Semester 1:

Reactor Theory And Design (14/10) Alex Goguet:
Revision of chemical kinetic fundamentals; revisions of basic design methods; description of different types of chemical reactors.
Reversible reactions; irreversible reactions; single, parallel, and consecutive reactions; constant volume systems; the concept of fractional conversion; variable volume reactions and reactor systems; plug flow reactors; and continuous stirred tank reactors.
Heat effects in chemical reactor design; the temperature dependence of rate constant; exothermic reactions; endothermic reactions; heat effects in irreversible and reversible reactions; the relationship between heat of reaction and temperature rise/fall; adiabatic heat balances in continuous flow reactors; the optimum temperature profile; the design of adiabatic reactors for endothermic, exothermic, irreversible and reversible reactions.
Flow effects in reactors; the concept of dead space, short circuit flow and bypassing in stirred vessels; the concept of dead space, laminar flow, channelling and axial mixing in tubular flow reactors; the concept of residence time distribution in continuous flow reactors; the determination of residence time data; tracer response techniques; the E function; the F function; the application of residence time distribution data in reactor design; introduction to modelling of non-ideal flow in continuous flow reactors; the stirred tanks in series model; the dispersion model.

Catalysts And Catalytic Reactors (16/8) Kevin Morgan:
Rate equation for heterogeneous reactions.
Rate controlling mechanisms.
Experimental methods for rate determination.
Decomposition of a single reactant by two paths.
Side-by-side decomposition by two reactants.
Adiabatic operations.
Components of typical heterogeneous catalysts.
Industrial preparation of supported catalysts.

Reactor Design and Simulation Techniques (6/10) Abul Hassan:
Introduction to reactor process flowsheeting and simulation with Aspen Suite
Thermodynamic principles and catalyst performance using Aspen
Continuous Stirred Tank Reactor (CSTR)
Plug Flow Reactor (PFR)
Conversion Reactor
Equilibrium Reactor
Gibbs Reactor
Troubleshooting simulation challenges
Exploring open-source alternatives with COCO Simulator

Semester 2:

Optimisation Of Catalytic Reactions (8/4) Alex Goguet:
Catalyst deactivation and design for catalyst deactivation.
Effect of pressure drop.
Reactor optimisation.

Thermodynamics of Chemical Reactions (8/3) Lecturer Jehad Abu-Dahrieh:
Revision of physical properties of pure component and mixture.
Multicomponent mixtures.
Chemical reaction equilibrium.
Multireaction equilibria.
Prediction of thermodynamics properties and phase behaviour using equation of state.
Modelling of thermodynamic systems.

Exergy analysis and Process Integration (12/4) Danai Poulidi:
Exergy and Pinch Technology.
Minimum targets.
Design rules.
Energy relaxation.
Grand composite curves.
Utility design.
Retrofit design.

Resources in the Energy and Chemical Industries (6/1 workshop) John Holbrey:
Changes taking place in the energy and chemicals industries as we move from petrochemical to renewable resources,
Using case studies to illustrate the drivers and technologies available to supply current and future energy and materials demands.

Multiphysics CFD Simulation for Reactor Design (2/6) Abul Hassan:
Introduction to COMSOL Multiphysics
Basic Reactor Model Setup in COMSOL
Simulating Basic Chemical Reactions in COMSOL
Introduction to Open-Source CFD with OpenFOAM

Learning Objectives

LO1 Review and apply the basic principles of kinetics and reactor design to the design of ideal reactors found in industry.
LO2 Be aware of the concepts of selectivity and yield and the downstream implications of adjusting reactor operating conditions
LO3 Understand the importance of thermal control of chemical reactions and the implications of poor control with regard to process safety.
LO4 Be aware of the impact of non-ideal flow on product yields.
LO5 Understand the importance of catalysis to modern industry and have an increased knowledge relating to the application of catalysts in industry, their manufacture and operation within reactors.
LO6 Demonstrate knowledge relating to the impact of mass transfer on multi-phase chemically reacting systems.
LO7 Understand the principles of momentum, heat and mass transfer and application to problems involving fluids and multiple phases.
LO8 Be aware of the complexities of integrating, pressure drop, non-isothermal, catalyst deactivation etc. when solving more complex chemical engineering design problems.
LO9 Demonstrate knowledge of the principles of equilibrium and chemical thermodynamics, and application to phase behaviour, to systems with chemical reaction and to processes with heat and work transfer.
LO10 Analyse more complex thermodynamic cycles under the principles of equilibrium and chemical thermodynamics.
LO11 Understand the concepts of process integration and exergy analysis.
LO12 Understand and apply simulation tools for solving chemical reaction engineering problems, including commercial software for solving chemical engineering problems (detailed knowledge of computer coding is not required).
LO13 Be aware of the issues involved in obtaining chemical feedstocks and their conversion to chemical products, through the exploration of a number of industrial processes.

Skills

Learners are expected to demonstrate the following on completion of the module:
Core chemical engineering skills in thermodynamics and reaction engineering
Critical thinking and analysis skill.
Simulation and modelling skills
Presentation and communication.

Assessment

Assessment:
Examination 50%
Coursework 50 %

Continuous assessment (50% of the final mark) includes:

Semester 1
1) One assignment on “Reactor Theory And Design” and “Catalysts And Catalytic Reactors” (20%).
2) One assignment on process simulation (20%).

Semester 2
1) Assignment for “Thermodynamics of Chemical Reactions” (20%).
2) Assignment on Reactor design simulation and optimisation (20%)
3) Assignment for “Resources in the Energy and Chemical Industries” (20%).

Course Requirements:
Examination Mark Veto at 40 %.
Coursework Mark Veto at 40 %.