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 25 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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Funded PhD studentship in Experimental Investigation of Nanoparticle Synthesis

6th November, 2018

Applications are invited for a funded 3.5 year PhD studentship under the supervision of Prof. Markus Kraft. The successful applicant will be based in the Department of Chemical Engineering and Biotechnology in Cambridge, UK for the first year of the project. The next two years will be spent at Cambridge CARES in Singapore. The remainder of the project will be spent in Cambridge, UK.

We are looking for an outstanding student who is interested in working on an experimental project to investigate the laminar flame synthesis of titanium dioxide nanoparticles. The project will investigate the factors controlling the particle size distribution, particle morphology, and crystal phase composition. The project will require the student to apply various experimental techniques to provide real-time spatially resolved measurements of temperature and particle size and number distribution in the flame. The particles will be collected and characterised to measure physicochemical properties such as the crystal structure, primary and aggregate particle size and optical bandgap. Experiments in the recently-commissioned laser laboratory at Cambridge CARES are envisaged during years 2 and 3 of the studentship. The project will run alongside a computational studentship that will use insights from the experimental investigation to inform a detailed model of the particle formation process.

Funded PhD studentship in Computational Modelling of Nanoparticle Synthesis

5th November, 2018

Applications are invited for a fully-funded 3.5 year PhD studentship under the supervision of Prof. Markus Kraft. The successful applicant will be based in the Department of Chemical Engineering and Biotechnology in Cambridge, UK for the first year of the project. The next two years will be spent at Cambridge CARES in Singapore. The remainder of the project will be spent in Cambridge, UK.

We are looking for an outstanding student who is interested in working on a modelling project to develop and apply state-of-the-art computational tools to model the formation of titanium dioxide nanoparticles. The project will solve detailed mathematical models using stochastic numerical methods to investigate phenomena including the chemical reactions, collision and growth of particles in the reactor. The project will require the student to develop further both the model and the numerical methods used to solve the model on a High Performance Computing cluster. The project would suit a student with strong mathematical, numerical and programming skills. The project will run alongside an experimental studentship that will provide insights to inform the development of the model.

CoMo group attends Dublin Symposium

9th August, 2018
CoMo group attends Dublin Symposium Picture

The Computational Modeling Group participated in the 37th International Symposium on Combustion in Dublin, Ireland from 29 July to 3 August 2018. This Symposium is the most important international meeting related to combustion science and provides an excellent environment for all participants around the world to share ideas and experiences. Over 1800 participants joined the meeting.

A total of 13 colloquium categories were addressed at the Symposium on Combustion including Soot, Nanomaterials and Large Molecules; Internal Combustion Engines; Gas-Phase Kinetics; Laminar Flames; Diagnostics; among others.

CoMo group members located in the University of Cambridge and Cambridge Centre for Advanced Research and Education in Singapore (CARES) actively participated in the Symposium with three presentations and ten work-in-progress posters, showing modelling and experimental results.

Presentations:

Posters:

  • Non-linear regression of flame images for the numerical integration of the inverse Abel transform, by J. Dreyer.
  • Parametric sensitivity study of soot particle size distribution in a benchmark ethylene burner-stabilized stagnation flame with a new detailed population balance model, by D. Hou.
  • Detailed population balance modelling of titanium dioxide nanoparticles in a premixed stagnation flame, by C. Lindberg.
  • Reversible soot surface growth: Approximating PAH chemistry, by G. Leon Cazares.
  • Degree of crosslinking in combustion carbons, by L. Pascazio.
  • Penta-ring crosslinking in nascent soot formation, by L. Pascazio.
  • Mixed aromatic clusters: Insights into the core-shell morphology of soot, by K. Bowal.
  • Representing chemical mechanisms in OWL ontologies, by F. Farazi.
  • Polymorphism on TiO2 nanocrystals in a premixed stagnation flame synthesis: Formation of TiO2-II phase, by M. Manuputty.
  • Influence of cyclic fuels on the soot formation process in a co-flow diffusion flame, by M. Salamanca.
  • Ab initio calculation of the optical band gap of polycyclic aromatic hydrocarbons, by A. Menon.