| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Cavalli, Gabriel
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2021Novel Crosslinking System for Poly-Chloroprene Rubber to Enable Recyclability and Introduce Self-Healingcitations
- 2019Examining the Influence of Anion Nucleophilicity on the Polymerisation Initiation Mechanism of Phenyl Glycidyl Ethercitations
- 2019On the use of benzaldehyde to improve the storage stability of one-pot, epoxy ionic liquid formulationscitations
- 2018Examining the influence of organophosphorous flame retardants on the thermal behaviour of aromatic polybenzoxazinescitations
- 2016Improving the hydrolytic stability of aryl cyanate esters by examining the effects of extreme environments on polycyanurate copolymerscitations
- 2016Investigation of structure property relationships in liquid processible, solvent free, thermally stable bismaleimide-triazine (BT) resinscitations
- 2012Quantifying the effect of polymer blending through molecular modelling of cyanurate polymerscitations
Places of action
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article
Quantifying the effect of polymer blending through molecular modelling of cyanurate polymers
Abstract
Modification of polymer properties by blending is a common practice in the polymer industry. We report here a study of blends of cyanurate polymers by molecular modelling that shows that the final experimentally determined properties can be predicted from first principles modelling to a good degree of accuracy. There is always a compromise between simulation length, accuracy and speed of prediction. A comparison of simulation times shows that 125ps of molecular dynamics simulation at each temperature provides the optimum compromise for models of this size with current technology. This study opens up the possibility of computer aided design of polymer blends with desired physical and mechanical properties.