Advanced simulation for design and optimization of chemical reactors

K-INN Tech develops advanced modeling based on internal experimental activities or industrial data.

Applications are predominantly based on chemical reactivity, and may involve kinetic studies. The interplay with heat-and mass-transfer is a common issue in industrial plants.

The common outcome is the prediction of performances in terms of chemical activity, coupled with velocity, pressure and temperature distribution. Either steady-state and transient simulation models are developed, from zero-dimensional to 3D geometries.

Kinetics identification is either based on global reaction rates or detailed homogeneous and surface mechanisms (microkinetics), allowing the reactor design.

Non-catalytic reactions involving solids, such as pyrolysis, gasification, torrefaction, smouldering, are a different application area. The goal is always the reactor design, understanding, and optimization at real scale. We develop sub-models of the solids, ranging from semi-empirical weight-loss correlation to first-principle, surface chemistry description, within a variable solids structure, including porosity modification.

The investigations on homogenous reactions are mainly focused on combustion chemistry and gas phase reactions, where detailed mechanisms involving hundreds of elementary reactions, may be involved and properly managed within the CHEMKIN or Cantera frameworks. Both flames (diffusive and premixed) and pollutants chemistry are addressed. We specialize in the analysis of the controlling steps in the complex reaction network as well as the development of simplified, global reaction rates to be coupled to CFD or transient simulations.


  • Biasin A., Fabro J., Michelon N., Glisenti A., Canu P. Investigation of thermal effects on heterogeneous exothermic reactions and their impact on kinetics studies. Chemical Engineering Journal (2018).

  • Bianchi C., Bonato P., Dughiero F., Canu P. Enhanced power density uniformity for microwave catalytic reactions adopting solid-state generators: Comparison with magnetron technology. Chemical Engineering and Processing: Process Intensification (2017), 120, 286-300.