NaPolyNet Work package 4 Making available the latest characterization tools including molecular modelling tools WP leader: P3 Christoph Schick (Andreas Wurm) University of Rostock, Institute for Physics, Polymerphysics

Objectives -to allow researchers and nanomaterial producers from SMEs to become aware of the newest developments of characterisation tools for nanostructured materials - to enable transnational access to advanced equipment for study and characterization of nanomaterials - to enable transfer of advanced characterization tools to partner labs: to provide calibration routines and to suggest standard reference materials. (WP2 setting up EOL)

WP Summary It aims at making available inside and outside the consortium developing measurement strategies and routines allowing average trained users of equipment for thermal, structural, morphological, mechanical and dielectric spectroscopic analysis to produce correctly interpret reliable data on nanostructured materials to better fulfill the requirements of nanomaterials characterization especially for SME. Molecular modelling tools that will bring added value to the analysis and interpretation of experimental results is also part of this WP.

WP actual status Structure formation through homogeneous and heterogenoeus nucleation using calorimetric methodologies (+PSD, SAXS, WAXS) with 2 demonstration examples (P3, P11) Particle size analysis by laser diffraction analysis ( P6) Polymer crystal investigation by advanced topographic methodologies AFM (P1) Advanced computational tools of materials modelling for the understanding of the relation of nanostructured polymeric membranes, with controlled permeability, and macroscopic properties (P1, P9?)

Milestones M 4.1 One or more proposals for standard reference materials for the determination of fractions of different mobility in complex nanostructured materials by calorimetry M 4.2 Data on critical cooling rate for homogeneous nucleation for different polymers (available on the web page). M.4.3 Instructions (available on the web) on how to determine: a.fractions of different mobility in nanostructured materials from calorimetric data; b. basic structural, morphological and textural parameters from diffraction analysis.

Milestones M 4.1 One or more proposals for standard reference materials for the determination of fractions of different mobility in complex nanostructured materials by calorimetry (P3, P5, P11, P14) M 4 2 Data on critical cooling rate for homogeneous nucleation for different polymers (available on the web page). M.4.3 Instructions (available on the web) on how to determine: a.fractions of different mobility in nanostructured materials from calorimetric data (P3, P11, P14) b. basic structural, morphological and textural parameters from diffraction analysis.

3-Phase model of semicrystalline polymers and polymer nano-composites Open question:  When does the rigid amorphous fraction devitrify? Rigid Amorphous Fraction d ≈ 2 nm Crystalline Fraction Mobile Amorphous Fraction Polymethylmethacrylate filled with SiO 2 and Laponite RD nano-fillers. d SiO 2 ≈ 10 nm Nano- particle d RAF ca. 2 nm Rigid Amorphous Fraction h laponite ≈ 1 nm

RAF determination for polymer nano- composites

Milestones M 4.1 One or more proposals for standard reference materials for the determination of fractions of different mobility in complex nanostructured materials by calorimetry M 4.2 Data on critical cooling rate for homogeneous nucleation for different polymers (available on the web page) (P3+P11) M.4.3 Instructions (available on the web) on how to determine: a.fractions of different mobility in nanostructured materials from calorimetric data; b. basic structural, morphological and textural parameters from diffraction analysis.

DSC, TMDSC, HYPER DSC Non Adiabatic Thin-Film (Chip) Nanocalorimetry for Fast Scanning and AC- calorimetry K/s, ms-Ms suggestion: example iPP..., no data for various polymers, but ways to determine in EOL

*(1) homogeneous nucleation and (2) heterogeneous nucleation domination Crystallization kinetics of isotactic polypropylene and nucleating agent influence

Milestones M 4.1 One or more proposals for standard reference materials for the determination of fractions of different mobility in complex nanostructured materials by calorimetry M 4.2 Data on critical cooling rate for homogeneous nucleation for different polymers (available on the web page). M.4.3 Instructions (available on the web) on how to determine: a.fractions of different mobility in nanostructured materials from calorimetric data; b. basic structural, morphological and textural parameters from diffraction analysis (P1, P11,…)

D 4.1 Description and practical demonstration of methods (available through the EOL and WEB page): a. for comparative studies of structure formation in nanostructured materials through homogeneous- and heterogeneous nucleation routes by advanced calorimetry b. for determining molecular structure/transport/barrier properties of membranes materials including molecular modelling c. for determination of the effect of nanofillers on the strain distribution, yield stress, Young modulus and Poisson’s ratio ok ??? P2... P1, P9