High voltage insulation materials based on functional polymer nanocomposites – design and implementation of the computational tool‐box

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Project abstract

This project started with the development of methodology to obtain the detailed information about the structure and dielectric performance of the interface between nanoparticles and a polymer matrix. This includes adapting commercially available ab-initio-based programs to the actual systems and then to combined the extracted information from this study with the mesoscale program. This combined approach will be tested on data obtained for real materials manufactured in parallel projects (Martin Wåhlander and Wangshu Li).

Summary of work

This is a new start although a lot of algorithms have been developed with a Swedish Research Council project, the modeling of dielectric performance at a meso-scale level. The following simulation tools have been developed: Finite Element Packages for predicting conductivity, diffusivity and heat transfer in isotropic and anisotropic nano-composites. Electrical Network Packages for predicting conductivity in isotropic and anisotropic nano-composites. A Distance Calculation Package for calculating dispersion properties from composite micrographs. A Morphology Package for mimicking different dispersion properties. A Tie-Chain Package for predicting the fraction of entanglements and tie-chains in branched polyethylene as function of temperature, molar mass distribution, branch fraction distribution, crystallinity and crystal thickness.

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Publications by this researcher

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Simulation of semi-crystalline polyethylene : Effect of short-chain branching on tie chains and trapped entanglements
Ali Moyassari,   Hakhamanesh Mostafavi,   T. Gkourmpis,   Mikael S. Hedenqvist,   Ulf W. Gedde,   Fritjof Nilsson.
2015,   Polymer, vol. 72

Image Analysis Determination of the Influence of Surface Structure of Silicone Rubbers on Biofouling
Sevil Atari Jabarzadeh,   Fritjof Nilsson,   Henrik Hillborg,   Sigbritt Karlsson,   Emma Strömberg.
2015,   International Journal of Polymer Science

Chitosan extrusion at high solids content : An orthogonal experimental design study
Fei Chen,   Fritjof Nilsson,   M. Gällstedt,   Mikael S. Hedenqvist.
2014,   Polymers from Renewable Resources, vol. 5(1)

Polymer-grafted Al2O3-nanoparticles for controlled dispersion in poly(ethylene-co-butyl acrylate) nanocomposites
Martin Wåhlander,   Fritjof Nilsson,   Emma Larsson,   Wen-Chung Tsai,   Henrik Hillborg,   Anna Carlmark,   Ulf W. Gedde,   Eva Malmström.
2014,   Polymer, vol. 55(9)

Predicting Solubility and Diffusivity of Gases in Polymers under High Pressure : N-2 in Polycarbonate and Poly(ether-ether-ketone)
Fritjof Nilsson,   K. Hallstensson,   K. Johansson,   Z. Umar,   Mikael Hedenqvist.
2013,   Industrial & Engineering Chemistry Research, vol. 52(26)

Exploiting the nano-sized features of microfibrillated cellulose (MFC) for the development of controlled-release packaging
C. A. Cozzolino,   Fritjof Nilsson,   M. Iotti,   B. Sacchi,   A. Piga,   S. Farris.
2013,   Colloids and Surfaces B: Biointerfaces, vol. 110

Simulations of Semi-Crystalline Polymers and Polymer Composites in order to predict Electrical, Thermal, Mechanical and Diffusion Properties
Fritjof Nilsson.
2012,   Thesis (PhD), KTH Royal Institute of Technology, Trita-CHE-Report 2012:15

Modelling tie-chains and trapped entanglements in polyethylene
Fritjof Nilsson,   X. Lan,   T. Gkourmpis,   Mikael Hedenqvist,   Ulf Gedde.
2012,   Polymer, vol. 53(16)

Thermal Conductivity and Combustion Properties of Wheat Gluten Foams
Thomas O. J. Blomfeldt,   Fritjof Nilsson,   Tim Holgate,   Jianxiao Xu,   Eva Johansson,   Mikael S. Hedenqvist.
2012,   ACS Applied Materials and Interfaces, vol. 4(3)

Dye release behavior from polyvinyl alcohol films in a hydro-alcoholic medium : Influence of physicochemical heterogeneity
Carlo A. Cozzolino,   Thomas Blomfeldt,   Fritjof Nilsson,   Antonio Piga,   Luciano Piergiovanni,   Stefano Farris.
2012,   Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 403

Mass transport and high barrier properties of food packaging polymers
Fritjof Nilsson,   Mikael S. Hedenqvist.
2011,   Multifunctional and Nanoreinforced Polymers for Food Packaging

Modelling the Relative Permittivity of Anisotropic Insulating Composites
Fritjof Nilsson,   Ulf Gedde,   Mikael Hedenqvist.
2011,   Composites Science And Technology, vol. 71(2)

Mass transport and high barrier properties of foodpackaging polymers
Fritjof Nilsson,   Mikael Hedenqvist.
2011,   Multi-functional and nano-reinforcedpolymers for food packaging

Water transport in aluminium oxide-poly(ethylene-co-butylacrylate) nanocomposites
Patricia Nordell,   Fritjof Nilsson,   Mikael Hedenqvist,   Henrik Hillberg,   Ulf Gedde.
2011,   European Polymer Journal, vol. 47(12)

Validation of a 3D CT method for measurement of linear wear of acetabular cups : A hip simulator study
Anneli Jedenmalm,   Fritjof Nilsson,   Marilyn E. Noz,   Douglas D. Green,   Ulf W. Gedde,   Ian C. Clarke,   Andreas Stark,   Gerald Q. Maguire Jr.,   Michael P. Zeleznik,   Henrik Olivecrona.
2011,   Acta Orthopaedica, vol. 82(1)

Small-Molecule Diffusion in Semicrystalline Polymers as Revealed by Experimental and Simulation Studies
Fritjof Nilsson,   Mikael S. Hedenqvist,   Ulf W. Gedde.
2010,   18th World Forum on Advanced Polymeric Materials Siegen, GERMANY, APR 07-10, 2010

Meso-scale modelling of composites and semi-crystalline polymers
Fritjof Nilsson.
2009,   Thesis (Licentiate), KTH, Trita-CHE-Report 2009:54

Penetrant diffusion in polyethylene spherulites assessed by a novel off-lattice Monte-Carlo technique
Fritjof Nilsson,   Ulf W. Gedde,   Mikael S. Hedenqvist.
2009,   European Polymer Journal, vol. 45(12)

Publication list last updated from DiVA on 2024-08-22 22:58.

Page started: 2012-09-01
Last generated: 2024-08-22