Modelling of bio-products conversion processes for pollutant compounds formation dynamics assessment

The paper presents a modelling tool applied to bio-products in order to quantify the pollutants formation evolution within physical-chemical conversion processes based on bond graph methodology. The study results revealed the importance of an accurate modelling tool that integrates advanced chemical dynamics information for the prediction of reaction products formation, especially for the fast reacting chemical systems. The modelling tool offers the advantage of modifying all the specific process parameters, including the process architecture with respect to technology type and concept, and enables the continuous adjustment of the model in a versatile manner. The model provides information on reaction products formation enthalpy and concentration using reaction kinetics, mass and energy balance.