Nanoparticles
Nanoparticles are found in many areas of modern life, from the black toner in a laser printer and the white pigment in paint, to self-cleaning coatings on windows. However, not all nanoparticles are useful. Soot, a by-product of incomplete combustion, can be harmful to the environment and human health. Understanding the mechanisms by which these particles are formed and grow will help us understand how their size and shape might be tuned to promote useful properties, or assist in preventing their formation in the first place.
Within the CoMo group we employ a variety of techniques to model the growth and morphology of nanoparticles. From the most fundamental level, quantum chemistry techniques are employed to determine the stable energy states of chemical species associated with the gas-phase chemistry. By performing these calculations we hope to better understand the kinetics of the complex reaction pathways that lead to nanoparticle formation. But it doesn't end there. Once the smallest particles have been formed and are in a stable state in the system, growth systems take over. These range from the coagulation of particles and surface growth processes (gas-phase chemicals reacting on the surface of the particles), to restructuring processes also known as sintering - where the surface area of the particle reduces towards that of a perfect sphere. All these processes must be modelled accurately so that we can determine the sizes and shapes of the full population of particles. The Monte Carlo techniques employed to solve the underlying population balance equation have allowed us to describe the particles in such detail that we are now able to observe the full 3-dimensional structure of individual particles.
Recent Associated Preprints
127: Stochastic solution of population balance equations for reactor networks
ref: Technical Report 127, c4e-Preprint Series, Cambridge, 2013 by William J. Menz, Jethro Akroyd, and Markus Kraft
ref: Technical Report , c4e-Preprint Series, Cambridge, 2013 by Maria Botero, Sebastian Mosbach, and Markus Kraft
123: The suitability of particle models in capturing aggregate structure and polydispersity
ref: Technical Report 123, c4e-Preprint Series, Cambridge, 2012 by William J. Menz and Markus Kraft
Recent Associated Publications
The Suitability of Particle Models in Capturing Aggregate Structure and Polydispersity,
William J. Menz and Markus Kraft, Aerosol Science and Technology , 47, 734-745, (2013)
A new model for silicon nanoparticle synthesis,
William J. Menz and Markus Kraft, Combustion and Flame , 160, 947-958, (2013)
A fully coupled simulation of PAH and soot growth with a population balance model,
Dongping Chen, Zakwan Zainuddin, Edward EY Yapp, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft, Proceedings of the Combustion Institute , 34, 1827-1835, (2013)
Recent Associated Presentations
- International Sooting Flame (ISF) Workshop Aachen, 7th –8th November, 2011
- Invited presentation by Markus Kraft Download: PDF (1.34 MB)
- Invited presentation by Markus Kraft
- Invited presentation by Markus Kraft Download: PDF (30.49 MB)
- Invited presentation by Markus Kraft
Associated Software
Funding
Funding has generously been provided by EPSRC, Huntsman, University of Cambridge and The Royal Society.