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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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.



  • 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.