Applied Physical Chemistry for Processes and Materials Development

Research focus

The Peer review has evaluated this group as Average

The Applied Physical Chemistry for Processes and Materials Development Research Line is substantially fully leaded by the peoples belonging to the Applied Physical Chemistry Laboratory, which was established in 1975 by Prof. Sergio Carrà. During the years this laboratory grew in dimension up the today size of 7 professors, 2 permanent research staffs and approximately 15 between Ph.D. students and research fellows. This research group is devoted to the integrated application of physical chemistry fundamentals to analyze industrial processes of chemical nature (including energy production), materials synthesis (inorganic and polymers) and their environmental and safety aspects. The physical chemistry fundamentals (like chemical kinetics and thermodynamics, as well as transport phenomena at molecular and macroscopic scale) are the common features required to develop industrial process for the production of chemicals, energy and materials. As a representing example the definition of detailed kinetic schemes through quantum mechanical methods (mainly of Density Functional Theory type) finds its application either to the development of the deposition of advanced inorganic films by chemical vapor deposition of interest for the opto- and micro-electronics devices or to the design of innovative combustion processes for energy production, like the flameless ones. More recently, this approach was extended also to the analysis of polymerization reactions and to the interaction of biomimetic substrates with large size biomolecules. The horizontality of this approach makes it suitable for different areas of industrial activities, including the processes typical of the chemical industry, the design and synthesis of materials (inorganic and polymers) and the problems related to the environmental sustainability (for instance, industrial safety and pollution control). Another important goal is the formulation of mechanistic models where the aforementioned microscopic models are embedded in a fluid dynamic analysis accounting for mass, momentum and energy transport phenomena in a fully multi-physics and multi-scale approach. Accordingly, effective tools are then available for the design of innovative units or for the efficiency improvement of the existing ones. Among the examples currently under examination we can mention: - Design of functional inorganic materials production processes in Chemical Vapor Deposition reactors (thermally or plasma activated). Here, the attention is focused to the Dipartimento di Chimica, Materiali e Ingegneria Chimica “Giulio Natta” – Research Assessment Excercise 2003-2006 23 selection of operative criteria controlling the formation of amorphous, single- or polycrystalline film structures. Main applications are in the micro- and opto-electronics, in sensors, in energy production by photovoltaic devices and in the optical fibers. - Design of innovative burners with low environmental impact, like the flameless ones, through the detailed study of combustion reactions. Both experimental pilot plants and mathematical models are used to identify optimal operational parameters from the energetic and the environmental point of views. - Development of chemical processes in innovative multiphase reactors and in industrial compartments also different than the traditional chemical industry (electronics and mechanics – transport industries). - Design of separation and industrial wastes treatment processes, focusing to the conversion to secondary raw materials and to the energy efficiency. All the aforementioned activities are operated in synergy with several industrial partners, whose cooperation with many of them last for more than a decade. Recently, efforts were placed in extending these methodologies to new fields, like the biomaterials (mainly biopolymers) one, where the selection of operating criteria and methods allowing the production of polymers with designed properties for the applications of interest (like those used for scaffolds adopted in cells and tissues growth, or those used for sutures and for controlled drug release) is examined. Here the group experience both in experimental and modeling polymerization reactors in more traditional fields (like in the adhesives one) was matched with new insights about the estimation of reactivity ratios by QM methods. In this activity synergies are introduced with the Biocell laboratory of our Department. In the near future the CFALab will continue the researches in chemical kinetics through the quantum chemical and molecular dynamics methods. Main applications will be in the materials (inorganic, polymeric and cells&tissues) and in the energy production fields. About polymeric materials the attention will be focused on the biocompatible polymers and on their degradation during the cellular tissue growth, with particular emphasis on the drug delivery applications. About inorganic materials the research will be focused on the design of large scale reactors (i.e., 1÷2 m2 of deposition area) for epitaxial silicon deposition, having in mind the photovoltaic applications. For what concerns environmental processes, the focus will be on the sustainable use of hydrogen, biofuels and wastes for energy productions, with particular attention to their “new pollutant” formation and to the development of innovative processes for reducing the environmental impact related to the use of such fuels. Moreover, industrial process sustainability will be a focus topic through the investigation of both safe operating conditions for chemical reactors as well as the development of innovative risk assessment methodologies suitable also for SME.

Dipartimento di afferenza

Dipartimento di Chimica, Materiali e Ingegneria Chimica

Docenti afferenti

Full Professors
Maurizio Masi
Renato Rota
Massimo Morbidelli
Associate Professors
Carlo Cavallotti
Giuseppe Nano
Assistant Professors
Valentina Busini
Marco Derudi
Davide Moscatelli