Biographical Sketch

Elena Tocci is Researcher at the CNR Institute on Membrane Technology in Rende (CS) since 2001.  She is an expert in computational chemistry with a M.Sc. in Chemistry and a PhD in Chemical and New Materials Technologies at the University of Calabria, Italy. She has spent, in recent years, several periods in foreign Institutions as a visiting scientist.

Main fields of research:

• Molecular dynamics simulations of membranes and membrane operations.
• Modelling of single gas and mixed gas separation
• Modelling of transport of solutes for reverse osmosis application and water applications
• Membrane crystallization
• Modelling of morphological properties of amorphous glassy membranes and in high free volume polymers (glassy perfluoropolymers and polymers of intrinsic microporosity);
• Mesoscale modeling of nanostructured polymeric materials. 

Most representive publication:

• Cairo P.; De Luca G.; Tocci E.* and Drioli E.* Selective Recognition of 5-Fluorouracil with Molecular Imprinting Membranes: Molecular Details accepted by Industrial & Engineering Chemistry Research – special issue for 110th Anniversary of I&EC Research DOI: 10.1021/acs.iecr.9b02281
• Hossain I. ; Nam S.Y. ; Rizzuto C. ; Barbieri G. ; Tocci E.*; Kim T.-H.*, Multi-block PIM-(6FDA-Durene)-co-polyimide Membranes for CO2 Separation, Membrane Sci. 2019, 574, 270-281 ; DOI: 10.1016/j.memsci.2018.12.084
• Tsai J-H. ; Macedonio F. ; Perrotta M.L. ; Gugliuzza A. ; Giorno L. ; Tung K.L. ; Drioli E. ; Tocci E.* Membrane-Assisted Crystallization: A Molecular View of NaCl Nucleation and Growth, Sci. 2018, 8(11), 2145-2162; DOI:10.3390/app8112145   
• Rizzuto C. ; Pugliese G. ; Bahattab M. A.; Aljlil S. A. ; Drioli E. ; Tocci E.* Multiwalled Carbon Nanotube Membranes for Water Purification, Purif. Technol. 193 (2018) 378–385; DOI:10.1016/j.seppur.2017.10.025
• Rizzuto C. ; Caravella A. ; Brunetti A. ; Park C.H. ; Lee Y.M . ; Drioli E. ; Barbieri G.; Tocci E.* Sorption and Diffusion of CO2/N2 in gas mixture in thermally-rearranged polymeric membranes: A molecular investigation Membr. Sci. 2017, 528, 135–146 ; DOI:10.1016/j.memsci.2017.01.025
• Park C.H. ; Tocci E.*; Fontananova E. ; Bahattab M. A.; Aljlil S. A. ; Drioli E., Mixed matrix membranes containing Functionalized Multiwalled Carbon Nanotubes: Mesoscale Simulation and Experimental Approach for Optimizing Dispersion, Membr. Sci. 2016, 514, 195–209 ; DOI:10.1016/j.memsci.2016.04.011
• Tocci E.*; De Lorenzo L.; Bernardo P.; Clarizia G.; Bazzarelli F.; Mckeown N.B.; Carta M.; Malpass-Evans R.; Friess K.; Pilnáček K.; Lanč M.; Yampolskii Y.P.; Strarannikova P.; Shantarovich V.; Mauri M.; Jansen J.C., Molecular Modelling and Gas Permeation Properties of a Polymer of Intrinsic Microporosity composed of Ethanoanthracene and Tröger’s base units, Macromolecules 2014, 47 (22),  7900–7916 ; DOI: 10.1021/ma501469m
• Park C.H.; Tocci E.*; Kim S.; Kumar A.; Lee Y.M.; Drioli E.; A Simulation Study on OH-Containing Polyimide (HPI) and Thermally Rearranged Polybenzoxazoles (TR-PBO): Relationship between Gas Transport Properties and Free Volume Morphology Phys. Chem. B 2014, 118, 2746−2757 ; DOI :10.1021/jp411612g
• De Lorenzo L.; Tocci E.*; Gugliuzza A.; Drioli E. Assembly of nanocomposite PEBAX membranes: A complementary study of affinity and clusterization phenomena, Membr. Sci. 2012, 412-422, 75-84; DOI:10.1016/j.memsci.2012.06.050