NaPolyNet Work package 4

Making available the latest characterization tools

including molecular modelling tools

WP leader: P3Christoph Schick (Andreas Wurm)

University of Rostock, Institute for Physics, Polymerphysics christoph.schick@uni-rostock.de

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 equipmentfor study and characterization of nanomaterials

- to enable transfer of advanced characterization tools topartner 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

CrystallineFraction

Mobile Amorphous

Fraction

Polymethylmethacrylate filled with SiO2 and Laponite RDnano-fillers.

dSiO2 ≈ 10 nm

Nano-particle

dRAF ca. 2 nm

Rigid Amorphous

Fraction

hlaponite ≈ 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 DSCNon Adiabatic Thin-Film (Chip)

Nanocalorimetry for Fast Scanning and AC-calorimetry

10-4-106 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

0 20 40 60 80 100 120 140

0.1

1

10

100

1000

10000

(2)

iPP with nucleation agents: pure iPP with nucleating agent

Cry

sta

lliza

tion

Tim

e in

s

Temperature in °C

DSC

Differential Fast Scanning

(1)*

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