Advanced Chemical Engineering MSc

• Dr Peter Clough

The module instructs and develops a chemical engineers’ ability to use the finite differences method for numerical modelling to gain a deeper understanding of gas-solid reaction mechanisms and reinforces the value of reaction kinetics, and heat and mass transfer phenomena governing chemical reactions. A particular emphasis of this module is placed on gas-solid reactions with catalytic applications in the energy industry that are likely to be faced by Chemical Engineers. The numerical modelling methods covered in the module are key to the initial design and optimisation of a vast number of industrial chemical processes. Supplementary to the numerical modelling, the module will develop your awareness of novel catalyst and material synthesis methods and will cover novel machine learning based approaches to catalyst/material design and optimisation (QSPR/QSAR/cheminformatics).

You will apply combined heat and mass transfer phenomena in complex catalytic transient systems, modelled by the finite differences method in MATLAB.

The transient heat transfer will include time and spatial variable conduction and convection terms. The transient mass transfer will include time and spatial variable bulk, Knudsen and effective diffusion.

You will model 1-D single particle systems covering heterogeneous catalytic reactions including cracking, reforming, gasification, reduction, oxidation, and other similar systems. Within this breadth of systems, you will investigate the important role of diffusion and gas-solid reactions to offer routes to mitigate rate limiting steps and enhance chemical reactions.

Using your MATLAB codes, you will develop independent research to determine the impact of input variable parameters such as porosity, temperature, and gas composition and measure their effect on the reactions. This will develop your numerical modelling specialisms and independent thought and research strengths.

You will learn new skills, applying the finite differences method modelling technique to uncertain and complex systems and how to set relevant boundary and initial conditions for these systems. You will be able to discretise partial differential equations into ordinary differential equations and programme them such they can be solved with multivariable input adapted functions based on ODE15s.

You will explore the limits and real-world accuracy of these modelling techniques, rate expression relationships, and conversion fitting models (shrinking core model, random pore model etc.). You will also learn of the latest research that is being undertaken to design new catalytic materials involving first-principals modelling aided by machine learning. You will learn of catalytic material synthesis methods and how these processes can be optimised for industrial applications.

On successful completion of this module you should be able to:

• Implement finite differences numerical modelling in MATLAB for gas-solid chemical reactions in transient systems,
• Evaluate the effect of gas diffusion, reaction kinetics, and mass and heat transfer phenomena and the limits of knowledge/applicability in these areas,
• Critique different kinetic models and develop coherent and professional arguments that communicate how one could enhance overall reaction rates by overcoming rate limiting steps or properties of the solid material,
• Evaluate the latest research in this field and how these numerical methods could be applied to various sectors in the energy industry.

• Dr Ying Jiang

The module provides you with the essential research techniques and hands-on skills to assess the technical feasibility and sustainability of chemical engineering processes through a combination of process simulations; techno-economic, life cycle, and social (sustainability) assessments; process safety; computational fluid dynamic modelling and machine learning. Considering, multidisciplinary nature of existing engineering challenges, this skill set is prerequisite for advancing research to enhance the performance of existing technologies, and offer innovative solutions for enabling emerging technologies.

The module comprises skills training on computer-aided engineering tools and research analysis approaches that enable you to develop relevant competencies via hands-on experience. You will also work on a relevant case study that will take you through the entire assessment process. The acquired research techniques will be then used to design, develop, and assess a wide range of complex and innovative chemical engineering cases for industrial applications in the follow-on applied modules within the course, including catalytic process, separation and purification, biofuel production and conversion, thermochemical energy conversion, bioprocessing, and thermal storage and management.

Process modelling and techno-economic assessment

• Modelling and simulation: Concepts of process modelling. General concepts of simulation. Introduction to steady and dynamic process simulation. Introduction to commercial simulation software packages (i.e, Aspen HYSYS) for process flow-sheeting, design and analysis,
• Process optimisation techniques: Principles of optimisation,
• Case Studies (PC Lab and Demonstration Sessions): Process design, simulation and optimisation case studies based on industrial or research projects will be carried out using Aspen HYSYS and Aspen Plus,
• Economic assessment: Introduction to economic. Estimation of CAPEX and OPEX. Net present value (NPV).

Life cycle, social assessment, and process safety

• Life cycle analysis: carbon footprinting and environmental impact assessment, waste management,
• Net-zero technologies for sustainable development: CO2 emissions and decarbonisation of transport, power and industrial processes,
• Social analysis: Social implication of technology deployment,
• Process safety: Safety aspects of chemical processes.

CFD modelling for engineering applications

• Introduction to CFD & thermo-fluids: Introduction to the physics of thermo-fluids, governing equations (continuity, momentum, energy and species conservation) and state of the art Computational Fluid Dynamics including modelling, grid generation, simulation, and high-performance computing. Case study of industrial problems related to energy, process systems, and the physical processes where CFD can be used,
• Computational Engineering Exercise: specification for a CFD simulation. Requirements for accurate analysis and validation for multi scale problems. Introduction to Turbulence & practical applications of Turbulence Models: Introduction to Turbulence and turbulent flows. Traditional turbulence modelling,
• Practical sessions: Fluid process problems are solved employing the widely used industrial flow solver software FLUENT. Lectures are followed by practical sessions on single/multiphase flows, heat transfer, to set up and simulate a problem incrementally. Practical sessions cover the entire CFD process including geometric modelling, grid generation, flow solver, analysis, validation and visualisation.

Machine learning for chemical engineering

• Create Machine Learning models in MATLAB: Predict, cluster, and simulate for chemical engineering problems. Understand and critique the differences between different Machine Learning algorithms,
• Hypothesise and predict material properties: using quantum mechanical descriptors.

On successful completion of this module you should be able to:

1. Critically assess the social and environmental sustainability, and safety aspects of processes or technologies, and evaluate the associated uncertainties through life cycle assessments,
2. Design and implement a strategy to carry out a process design and critically appraise the techniques and major commercial simulation tools for steady and dynamic process simulation,
3. Design and analyse the performance and techno-economics of process plants using simulation or optimisation tools,
4. Develop and implement CFD models for use in industrial design of complex systems,
5. Develop Machine Learning models for quantitative research analysis by means of prediction, clustering, and simulations of chemical engineering problems.

• Dr Ali Nabavi

The module provides the essential knowledge and hands-on skills for design and development of gas separation and purification technologies that are required for the decarbonisation of power and industry sectors, as the prerequisite to meet the net-zero emission target. 

The module enables you to master the underlying mechanisms of sorption and separation processes, along with the required experimental characterisation and data analysis techniques, and computational modelling. This knowledge will then be applied to design, develop, and evaluate carbon dioxide separation in power (i.e. gas and coal power plants) and industrial (i.e cement, iron and steel) sectors; biogas upgrading; hydrogen purification, and carbon dioxide and hydrogen storage, as case studies. 

 

• Principles of gas separation and purification:
  • Gas-liquid absorption/adsorption principles, 
  • Gas-solid absorption/adsorption principles.
• Sorbent characterisation:
  • Design of experiments for characterisation of sorbents for separation and purification processes,
  • Characterisation of non-functional and functional sorbents using techniques such as scanning electron microscopy – energy-dispersive X-ray spectroscopy (SEM-EDX), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), Brunauer-Emmett-Teller (BET) surface area analysis and Barrett-Joyner-Halenda (BJH) pore size and volume analysis,
  • Data analysis techniques.
• Design and evaluation of gas separation, purification and storage technologies to achieve net-zero emission target:
  • Carbon dioxide separation in power and industrial sectors,
  • Biogas upgrading,
  • Hydrogen purification,
  • Carbon dioxide and hydrogen storage.
• Case Studies:
  • Case studies will be carried out using the acquired experimental data, and process simulations.

On successful completion of this module you should be able to:

• Apply the principles of gas adsorption and absorption in the design of separation and purification units,
• Characterise an analysis sorbents for the gas separation process,
• Critically evaluate the main challenges of carbon dioxide and hydrogen separation and storage in the power and industry sectors,
• Design and optimise separation and purification processes, contributing to achieving net-zero emission target. 

• Dr Vinod Kumar

The Biofuels and Biorefining module focuses on liquid biofuels as a current opportunity to decrease greenhouse gasses emissions when used to replace fossil fuels in motor engines, and as a route to fulfil the European goals on the use of renewable energy.

The aim of the module is to provide you with advanced knowledge of the sources of biomass available for liquid biofuel production and the range of technologies used for conversion of the biomass into biofuels. The module covers characteristics of biomass and biofuels, conversion processes and existing technologies, and applications of biofuels including their use in alternative engines. In addition, an introduction to the biorefining concept will be provided.

Raw materials for production of bio-based chemicals, characterization and assessment; 

• Biofuel feedstocks and characteristics: starch- and sugar- based biomass, oleaginous-based biomass, lignocellulosic biomass, glycerol and algae,
• Sugar, Fatty acid, and Syngas platforms technologies.

First generation biorefinery 

• Bioethanol production
• Biobutanol production

Biodiesel production

• Biodiesel production technologies: biochemical, and catalytic and non-catalytic chemical processes,
• Biodiesel production: biochemical aspects,
• Biodiesel production: chemistry and thermodynamic aspects. 

Lignocellulosic biorefinery

• Bioethanol production,
• Bioproduction of succinic acid,
• Bioproduction of 2,3-Butanediol,
• Bioproduction of Lactic acid.

Algal Biorefineries

• Technologies for microalgal biomass production,
• Algal biofuels conversion technologies,

Food waste biorefineries

• Manufacturing Platform Chemicals from food wastes.

Glycerol-based Biorefineries

• Bioproduction of 1,-3-Propanediol,
• Bioproduction of 3-Hydroxypropionic acid.

AD-based biorefineries

• Biofuel production by AD,
• Possible feedstocks and challenges.

Biorefining

• Classification of Biorefineries,
• Economic, social and environmental impacts of biorefining.

Commercial biorefineries.

On successful completion of this module you should be able to:

• State and assess the range of biomass resources/biowastes/agro-industrial wastes available for biofuels and biochemicals production,
• Critically evaluate a range of technologies and biorefineries available for biofuels and biochemicals production from biomass and analyse the potential for future reduction in costs through technological development,
• Explain the main theoretical concepts and practical implementation associated with bioproducts engineering systems,
• Identify the high-value products that can be obtained from biomass feedstock,
• Construct simple biorefining schemes and critically evaluate the potential of biorefining processes.

• Dr Stuart Wagland

The module focuses on the opportunities and potential for biomass and waste to energy. The module aims to provide you with advanced knowledge of the sources of biomass and waste, and the range of technologies available for their conversion into bioenergy - particularly focused on thermochemical conversion. You will conduct laboratory exercises to characterise the input and output materials (e.g. waste feedstock and solid residues) and design thermochemical energy conversion systems, in parallel with a group exercise of monitoring and operating the pilot facility.

Furthermore, the module provides you with a critical understanding of the key differences and challenges in pilot-scale working. The module uses several pilot-scale energy facilities at Cranfield, aligned to the aims of the courses attending the module; covering thermochemical processes. Where appropriate there will be a visit to an external site, such as a waste management facility, to collect samples for analysis in the laboratory and within the pilot plant(s). As a practical module, you will gain significant practical experience through lab practical sessions, computer simulation and industrial site visits.

1. Biomass and Waste Resources:
   1. Practical skills of chemical and physical properties and characteristics of biomass and waste as a fuel,
   2. Analytical methods for characterising feedstock,
   3. Energy crops for bioenergy production and related ethics/sustainability issues.
2. Thermochemical conversion processes:
   1. Principles and reaction mechanisms of gasification, pyrolysis and combustion,
   2. Design principles of thermochemical processes and appropriate full energy system integration.
3. Thermochemical process design:
   1. Material characterisation (elemental analysis, calorific value, thermal decomposition (TGA) and analytical skills for fuel products characterisation),
   2. Process and full energy system design based on material characteristics,
   3. Complex chemical and thermal process modelling using ASPEN Plus.
4. Thermochemical process scale-up:
   1. Policies and legislation regarding the environmental, health and safety responsibilities of operating at pilot to commercial-scale,
   2. Moving from the laboratory to pilot-scale,
   3. Design of experimental activities to be representative and scientifically valid, and compliant with health and safety requirements.
5. Pilot plant operation:
   1. The Cranfield facilities- fluidised-bed and downdraft gasification, anaerobic digestion and chemical looping rig,
   2. Management of post-energy recovery residues (bottom ash, fly ash, digestate etc).

On successful completion of this module you should be able to:

1. Characterise and select the most appropriate biomass and waste materials for energy conversion applications,
2. Design and assess appropriate energy conversion systems for bioenergy production from biomass and waste,
3. Develop and apply analytical skills to carry out process simulation for design of energy conversion systems,
4. Critically evaluate the main operational challenges in operating thermochemical processes, reviewing current practice to identify potential areas for research and development,
5. Critically evaluate the application of software packages relevant to chemical engineering for upscale design from pilot-scale results to demonstration and commercial scale plants.

• Professor Phil Hart

The purpose of this module is to provide you with experience of scoping and designing a project. The module provides sessions on project scoping and planning, including project risk management and resource allocation. A key part of this module is the consideration of ethics, professional conduct and the role of an engineer within the wider industry context.

Project management:

• Project scoping and definition,
• Project planning,
• Project risk assessment and mitigation,
• Resource planning and allocation,
• Team roles and resourcing.

Financial management of projects.

Ethics and the role of the engineer.

• Ethics case study.

Professional code of conduct (in line with the code of conduct defined by the Engineering Council, IMechE, IChemE and Energy Institute).

On successful completion of this module you should be able to:

1. Design and scope a project, including identification of methods, resources required and risk management approaches,
2. Assess the likely financial needs of a new project and pitch for finance,
3. Evaluate ethical dilemmas and the role of the engineer within the context of their chosen industry.

• Dr Vinod Kumar

The Bioprocess Engineering module focuses on application of Chemical Engineering fundamentals on biological systems, specifically bacterial, yeast and fungal systems. The aim of the module is to teach the application of new process engineering tools to design, develop and analyse bioprocesses which will eventually improve their performance. The module will explain the impact of engineering principles on bioproduction beside strain development to achieve pragmatic commercial goals. It covers introduction to fermentation technology, knowledge of microbial growth kinetics (batch, fed-batch, continuous), reaction rates, conversion rate, stoichiometry & yield, engineering behind sterilisation, mass & energy balances for reactor analysis, reactor design & instrumentation, mass & heat transfer in a bioreactor, scale up and recovery of products.

Bioprocess Engineering and Fermentation Technology:

What is Bioprocess engineering and Fermentation; How microbes can be exploited for production of fuels, chemicals, energy etc with examples,

Microbial growth kinetics and Mechanisms of Sterilisation:

Quantification of growth, Kinetics and applications of batch, fed-batch and continuous processes, Medium sterilisation; Thermal design of batch and continuous sterilisation process, Sterilization by filtration,

Design of bioreactor and instrumentation & control:

Basic functions and bioreactor operation, Parts of bioreactor, Maintenance of aseptic conditions in bioreactor, Types of bioreactor, Methods of measuring and controlling (manual & automatic) process variables such as temperature, pH, dissolved oxygen, foam, CO2 etc, online analysis, Process control,

Material and energy balance in a bioprocess:

Procedure for material and energy balance calculations with examples, Stoichiometry of growth and product formation, reaction rates, conversion rate,

Mass and heat transfer in bioreactor:

Fluid flow and mixing, Rheological properties of fermentation broth, Power requirements for mixing, scale up of mixing systems, Mechanism of heat transfer, Conduction, Heat transfer between fluids, Application of heat design equations for heat transfer systems,

Transfer Phenomenon in Microbial Systems:

Oxygen requirements in industrial fermentations, Molecular diffusion in bioprocessing, Oxygen uptake and transfer in microbial cultures, Determination of KLa values, factors affecting KLa,

Recovery of fermentation products:

Strategies to recover and purify products, Separation of insoluble products, Cell disruption, Separation of soluble products, Finishing steps for purification, Integration of reaction and separation,

Bioprocess economics:

Potential of strain, Market potential of product, Plant & equipment, Media, Air sterilisation, Heating & cooling, Aeration & agitation, Batch/Continuous culture, Recovery cost, Recycling, Effluent treatment,

Risk assessment:

Before starting experimental work, you will be taught about risk associated while performing the experiments and precautions needed to take to ensure your safety. You will have to complete a risk assessment document before entering the laboratory.

On successful completion of this module you should be able to:

• Apply fundamentals of bioprocess engineering concepts for enhancing the bioproduction,
• Design bioreactor for controlled industrial scale fermentations,
• Select suitable separation method(s) for maximizing the recovery of fermentation products,
• Assess the factors affecting bioprocess economics.

• Dr Ali Nabavi

Design of optimum thermal and energy storage systems is one of the key prerequisites to enhance the performance and efficiency of conventional and future energy systems.

This module aims to enable you to combine and apply the principles of heat transfer, thermodynamics and fluid mechanics in the design and optimisation of commercial thermal systems. In addition, the module introduces you to a wide range of challenges and opportunities in waste heat recovery and energy storage, and provides practical approaches and solutions to enhance the system efficiency.

Heat exchanger Design and Operation

• Heat exchangers: classification, theoretical principles and design of recuperative systems (effectiveness, NTU and capacity ratio approach for parallel-, counter- and cross-flow configurations), series cross‑flow arrangements, regenerative heat exchangers (intermittent and continuous systems), pressure‑loss assessment, heat‑exchanger optimisation (optimal pressure drop and surface area to maximise economic returns),
• Process integration: heat-exchanger network, utility systems, fundamentals of pinch analysis and energy analysis.

Waste Heat Recovery and Thermal Storage

• Waste‑heat recovery: sources of waste heat, heat recovery for industrial applications, energy density considerations, economics of waste-heat recovery,
• Thermal storage: principles and application to hot and cold systems, storage duration and scale, sensible and latent heat systems, phase-change storage materials, application to source and load matching.

Refrigeration and Air Conditioning

• Application of refrigeration and air conditioning.
• Vapour-compression refrigeration systems: simple systems, multi-stage compressor systems, multi-evaporator systems,
• Refrigerants: halocarbon refrigerants, CFC alternatives, refrigerant-selection criteria,
• Refrigeration compressors: reciprocating compressors, rotary screw compressors, scroll compressors, vane compressors, centrifugal compressors,
• Absorption refrigeration: the absorption process, properties of fluid-pair solutions, the basic absorption cycle, double-effect systems, advances in absorption-refrigeration technology,
• Psychrometry and principle Air-conditioning processes: psychrometry, heating, cooling, humidification and dehumidification processes.

On successful completion of this module you should be able to:

• Analyse and design heat exchangers, competently applying the principles of heat transfer, thermodynamics and fluid mechanics,
• Construct optimised heat exchanger networks by applying principles of process integration,
• Recognise and debate  the issues related to the efficient use of thermal energy and appraise  techniques and technologies employed,
• Design and analyse the performance of refrigeration and air conditioning systems.