Welcome from the Computational Modelling Group

A picture showing several members of the CoMo Group

Welcome to the website of the CoMo Group. We develop and apply modern numerical methods to problems arising in Chemical Engineering. The overall aim is to shorten the development period from research bench to the industrial production stage by providing insight into the underlying physics and supporting the scale-up of processes to industrial level.

The group currently consists of 22 members from various backgrounds. We are keen to collaborate with people from both within industry and academia, so please get in touch if you think you have common interests.

The group's research divides naturally into two inter-related branches. The first of these is research into mathematical methods, which consists of the development of stochastic particle methods, computational fluid dynamics and quantum chemistry. The other branch consists of research into applications, using the methods we have developed in addition to well established techniques. The main application areas are reactive flow, combustion, engine modelling, extraction, nano particle synthesis and dynamics. This research is sponsored on various levels by the UK, EU, and industry.

Markus Kraft's Signature
Markus Kraft - Head of the CoMo Group

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2nd prize at the 12th UK Particle Technology Forum

30th September, 2014
2nd prize at the 12th UK Particle Technology Forum Picture

Kok Foong Lee won the second prize of the Young Researcher Award for his presentation 'A multi-compartment population balance model for wet granulation' on 17 September 2014. A total of 40 abstracts were submitted and 6 of them were selected for the Young Researcher Award. Contestants for the Young Researcher Award were required to give a 20-minute oral presentation and the prize winners were judged based on the presentations. Kok Foong's current research interests are in the application of population balance model for wet granulation and the development of stochastic particle methods.

Post-doctoral Research Associate in Computational Chemical Engineering

29th July, 2014

A post-doctoral research associate position is available in the Computational Modelling Group, Department of Chemical Engineering and Biotechnology, at the University of Cambridge under the supervision of Prof. Markus Kraft. The project aims at investigating the formation of carbonaceous deposits within internal combustion engines by means of a variety of modelling techniques. This will involve developing and applying gas-phase combustion kinetic models and detailed population balance soot models, with particular emphasis on the role of polycyclic aromatic hydrocarbons (PAHs). Parametric and sensitivity studies will be performed to investigate the effects of multiple surfaces, fuels, lubricants, and additives. In addition, modelling efforts may also be extended to high-temperature surface reactions (coking) in refineries. The project is part of a five-member consortium led by BP and will require close interaction with other researchers. In particular, this includes validation against experimental data, and obtaining input from and providing input to molecular dynamics (MD), density functional theory (DFT), and reactive force field (ReaxFF) calculations.

To apply for this position, please use the following link:

http://www.jobs.cam.ac.uk/job/4102/

Applicants must have:

  • A PhD degree in a relevant discipline such as chemistry, physics, or chemical engineering with a substantial computational component (essential).
  • A keen interest in computational modelling, as well as strong numerical and programming skills (essential).
  • An outstanding publication record in at least one of the research areas concerned (essential).
  • Experience with supervision of Masters-level and final-year undergraduate research projects (desirable).

Positions available at Cambridge Center for Carbon Reduction in Chemical Technology (C4T) within Cambridge CARES in Singapore

24th April, 2014

A number of new positions are available as Research Fellow, Technical Programme Manager, Senior Research Fellow, and Research Associate/Laboratory Staff in the Cambridge CARES and C4T research groups. Cambridge CARES is the University of Cambridge's presence in Singapore sponsored by the NRF CREATE program, 'CAM.CREATE' . The research programme Cambridge Centre for Carbon Reduction in Chemical Technology (C4T) is a joint Cambridge, NTU, and NUS research activity within Cambridge CARES.

The following positions are available:

Position 1.) Research fellow position in data modelling and visualization of industrial networks

  • Cambridge CARES is looking for a Research Fellow to support the C4T research team. We are inviting suitably qualified candidates to apply for the above-mentioned position. The research team led by Profs Markus Kraft, Raymond LAU (NTU) and Iftekhar A Karimi (NUS) will train and equip you with the relevant research skills and guide your work.
  • Please find more information including job description, job requirements, and how to apply at: http://www.cares.cam.ac.uk/jobposting-irp-3_1

Position 2.) Technical programme manager: process system engineering

Position 3.) Senior research fellow: nanoparticle flame synthesis

Position 4.) Research associate/Laboratory staff member

  • Cambridge CARES is looking for a Research Associate/Laboratory Staff to support the C4T research team. We are inviting suitably qualified candidates to apply for this position. The research will be supervised by Prof. Markus Kraft and Prof YANG Yan Hui
  • Please find more information including job description, job requirements, and how to apply at: http://www.cares.cam.ac.uk/research-associatelaboratory-staff-irp-3

Additional available positions in the Cambridge CARES program can be found at: http://www.cares.cam.ac.uk/join-us-0

Laboratory technician position available

22nd April, 2014

A Laboratory Technician position is available in the Computational Modelling Group, Department of Chemical Engineering and Biotechnology, at the University of Cambridge under the supervision of Prof. Markus Kraft. The position is associated with the third integrated research programme (IRP3) of the Cambridge Centre for Carbon Reduction in Chemical Technology (C4T). For more information go to: www.cares.cam.ac.uk

A Laboratory Technician is sought to support the operation and development of the combustion laboratory in the Department of Chemical Engineering and Biotechnology. The successful applicant will set up and conduct experiments to measure the effect of different surrogate biofuels and fossil fuels on a laminar diffusion flame, and will lead the construction and commissioning of new burners and flow reactors to extend these experiments to a variety of different flame configurations, and to study the flame synthesis of organic and inorganic nano-particles. The successful applicant will work alongside an experienced team of researchers, supporting them to develop models to explain the experimental observations. The position offers the scope for the successful applicant to take a leading role in the development of new laboratory equipment and techniques, and in the scientific investigations performed using this equipment. The successful applicant will have experience of working in a chemical laboratory, and should be familiar with common analytical instruments, for example gas chromatography, FTIR, FID (flame ionization detector), DMS, HR-TEM, and thermocouples. An experimental background, experience of working as part of a team in a research environment, experience of the health and safety procedures for working in chemical environments and experience of developing new equipment and/or experiments would all be helpful. Prior knowledge of combustion is desirable but not essential.

To apply for this position, please use the following link:

http://www.jobs.cam.ac.uk/job/3768/

Applicants must have:

1.) HNC level qualification or equivalent experience in a relevant discipline (essential).

2.) Excellent interpersonal, organisational, and oral and written communication skills (essential).

Two post-doctoral research associate positions available

14th April, 2014

Two Post-Doctoral Research Associate positions are available in the Computational Modelling Group, Department of Chemical Engineering and Biotechnology, at the University of Cambridge under the supervision of Prof. Markus Kraft. The positions are funded by EPSRC. The two position descriptions are listed below.

Position 1.] The project is concerned with the study of PAH growth and oxidation chemistry. The successful applicant will use computational chemistry methods to calculate the rates of proposed reactions. These reactions will be added to existing detailed chemical kinetic combustion models and used to simulate a variety of laminar flames, in particular counter-flow diffusion flames. The successful applicant will have significant experience of computational chemistry methods. A knowledge of PAH and soot chemistry, computational modelling and kinetic Monte Carlo methods would all be advantageous.

To apply for this position, please use the following link:

http://www.jobs.cam.ac.uk/job/3555/

Position 2.] The project is concerned with the study of PAH clusters by means of Molecular Dynamics (MD). The successful applicant will use MD techniques to investigate the mobility and surface availability of different PAHs, and the melting point and sintering behaviour of different clusters. The results of these investigations will be used to help refine existing detailed population balance models for the formation of soot from PAH precursors. Experience with MD simulation software, visualisation, and post-processing, competence with High Performance Computing architectures and with high-level programming languages are highly desirable. Prior knowledge of PAH and soot chemistry would be advantageous, but is not essential.

To apply for this position, please use the following link:

http://www.jobs.cam.ac.uk/job/3566/

For both positions, applicants must have:

1.) A PhD in a relevant discipline such as chemical engineering, physics, mathematics, or scientific computing (essential).

2.) A keen interest in computational modelling, as well as strong numerical and programming skills (essential).

3.) An outstanding publication record in at least one of the research areas concerned (essential).

4.) Experience with supervision of PhD, Masters, and final-year undergraduate research projects (desirable).