Computational modelling in chemical engineering: from science to technology

This thesis investigates mean reaction rate closures for turbulent reacting flow. The closures model the mean rate of reaction in the flow and are applied to simulations of nanoparticle formation. The simulations couple ...

AbstractThis paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) ...