Description of the research group

The main research activities of the group are focused on multiscale modelling for managing the complexity of process – product design, sustainable process design and analysis, theory, modelling and simulation of nanostructured materials, drug design and design of controlled release processes.

Other field of interest is transport and thermodynamic property, their experimental determination, correlation, and prediction, with particular attention to phase equilibria (vapor - liquid, liquid - liquid and gas -liquid) correlation and prediction by means of different models (excess Gibbs energy models and equations of state) and application of the models to the simulation of chemical, biochemical and energy related processes (steady state and dynamic processes).

Recently, the attention was given to carbon capture and sequestration, hydrogen production, decarbonization of steel industry, extraction of phenol from aqueous streams. And LCA application to product t and process design.

Keyword 1: Process design

Keyword 2: Hydrogen

Keyword 3: Carbon Capture

Keyword 4: LCA

Keyword 5: Thermodynamic models

Head of the research group

Maurizio Fermeglia - PO - ING-IND/24

List of members in the research group

Andrea Mio - RTDA - ING-IND/24

Research projects

• Innovative Molecular modeling approach to up grade polymeric materials from post industrial rejects (MoMo), EU STREP - FP6: 2004 – 2006.
• MOMO: Innovative Molecular modeling approach to up grade polymeric materials from post industrial rejects, FP6: 2004 – 2006.
• MULTIPRO: Design of ‘tailor to made’ MULTIfunctional organic material by molecular modeling of structure property relationship, experimentation and PROcessing: FP6: 2006-2008.
• MULTYHYBRID: Innovative sensor-based procesing technology of nanoscrutured multifunctioanl hybrids and composites, FP6: 2006-2009.
• NANOMODEL: Multi-Scale Modelling of Nano-Structured Polymeric Materials: From Chemistry to Materials Performance, FP7, 2008-2011.
• MODENA: MOdelling of morphology DEvelopment of micro- and NAnostructures (MoDeNa), FP7, 2013-2016.
• COMPOSELECTOR: (NMP NMBP-23-2016)— Advancing the integration of Materials Modelling in Business Processes to enhance effective industrial decision making and increase competitiveness, H2020, 2016-
• Novel direct HRTEM imaging of DNA, DNA/proteins interaction and cell membrane structure, CRG Proposal Framework collaboration KAUST – University of Trieste. 2017 - .

Name of the laboratories

MolBNL - Proccess simualtion and LCA SW lab.