Graphene assisted Membrane Crystallization technology: A combined experimental- computational approach

The aim of this study [1] was the design and the development of innovative membranes through confinement of graphene platelets in Polyvinylidene fluoride (PVDF) membranes matrix, in order to evaluate the establishing of fruitful interactions for assisting Membrane Crystallization (MCr) process. The understanding of selected material effects was further assessed by using Molecular Dynamics, for a better comprehension of each phenomenon at molecular level. Graphene (G) as nanofiller in PVDF polymeric membranes, was used at different concentration with respect to pristine PVDF. From the experimental point of view, the results achieved showed reduced induction time followed by very quick growth rate for crystals formation [2]. Furthermore, better values of CV [%] were reached with graphene-PVDF based membranes, with respect to pristine PVDF, leading to a more homogenous crystals shape and size distribution. The computational approach confirmed that, graphene polymeric surfaces speeded up crystal nucleation, in comparison with the pristine PVDF [3], with nucleation times from 0.45 to 0.9 ns, in full agreement with the trend obtained with the MCr experiments. This confirmed the experimental results, bringing to a reciprocal validation and useful correlations between MD and the experimental analysis.References [1] M.L. Perrotta, supervised from dr. A. Gugliuzza and dr L. Giorno, Design of nanostructured composite membranes for water desalination, PhD thesis, to be discussed (2019). [2] M.L. Perrotta, F. Macedonio, E. Tocci, L. Giorno, E. Drioli, A Gugliuzza, Graphene stimulating birth-and-growth rate of NaCl crystals via membrane, submitted (2019). [3] M.L. Perrotta, F. Macedonio, L. Giorno,W. Jin., E. Drioli, A. Gugliuzza, E. Tocci, Molecular insights on NaCl crystals formation approaching the PVDF membranes functionalized with membranes, submitted (2019). Acknowledgements This research work has been carried out within the frame of 2DMEMPUR project funded by 'a grant from the Italian Ministry of Foreign Affairs and International Cooperation' within the frame of the Great Relevance International Project Italy (MAECI)-China (NSFC) 2018-2020 - New Materials, with particular reference to Two-dimensional systems and Graphene.