wp4: Modelling and simulations

Insight into chemical transformations indoors

A model is a computer representation of a system or situation.

We use two different models, INCHEM-Py and PYCHAM. Both models solve equations that predict how amounts of chemicals and particles change through time.

Why use a model?

Our experiments use very sophisticated equipment to measure chemical and particle levels in the air, but they can't measure everything. Using a model we can take all of the information we know about how individual chemical reactions take place, the measurements we have from experiments, and predict how these chemicals will evolve.

WP4 lead

Nic is the project lead and also heads up the modelling efforts in WP4. She works on numerical modelling of air pollution chemistry in the indoor environment, investigating the chemical processes that cause high concentrations of air pollutants indoors.  Current research focuses on indoor air pollution from the use of cleaning devices and surface cleaners, emissions from materials (e.g. furnishing) and humans (e.g. from skin and breath), as well as other activities associated with human occupancy (e.g. cooking and cleaning).  

Gordon works on measuring particulate composition and properties, on modelling particulate formation and transformation and on understanding the impacts of various sorts of pollution on human health. His team helps characterise the particle composition in the homes sampled in WP2 and understand the transformation of indoor particulate pollution using models in WP4. He also leads a Clean Air consortium characterising the relative toxicity of different pollution sources, providing a "hazard ranking" and leads WP5 in Ingenious aiming to quantify health impacts of indoor air pollution.

Simon's work focuses on modelling the formation, transformation and destruction of atmospheric aerosols.  Research during his PhD investigated methods to estimate aerosol component volatility and to model diffusion through single particles.  He is currently developing a diffusion model based on the Maxwell-Stefan approach and a box model to represent atmospheric simulation chambers.  

Dave is a modeller and physicist using a detailed chemical model, INCHEM-Py, to investigate the processes and pollutants resulting from indoor activities.  His current research focusses on further model development, experimental design for reduced model uncertainties and visualisation methods for complex processes.