Search for dissertations about: "theoretical modelling"
Showing result 16 - 20 of 445 swedish dissertations containing the words theoretical modelling.
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16. Thermodynamic modelling of carbides in multicomponent systems : theoretical and experimental approach
Abstract : This thesis concerns thermodynamic modeling of carbides in multicomponent systems. Focus has been made on systems interesting for cemented carbide production but the results are also useful for many other application were the material consist of different carbides, for example tool steels/high speed steels. READ MORE
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17. Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modelling
Abstract : In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. READ MORE
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18. Theoretical modelling of thin film growth in the B-N system
Abstract : In vapour phase deposition, the knowledge and control of homogeneous and heterogeneous reactions in connection to precursor design may lead to the deposition of the desired material; structure or phase. This thesis is a document attempting to increase the knowledge of film growth in the B-N system. READ MORE
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19. Interactions in aqueous salt solutions : Atomistic modelling versus experiment
Abstract : The research in this thesis investigates how atoms and molecules constituting aqueous salt solutions interact using computational approaches, namely Monte Carlo simulations and molecular dynamics simulations. In the first paper, an atomistic model was developed for aqueous solutions of sodium thiocyanate and potassium thiocyanate (NaSCN and KSCN). READ MORE
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20. Modelling Charge Transport for Organic Solar Cells within Marcus Theory
Abstract : With the technological advancement of modern society, electronic devices are getting progressively more integrated in our everyday lives. Their continuouslygrowing presence is generating numerous concerns about costs, efficiency and the environmental impact of the electronic waste. READ MORE