Exploitable results
MESODYN solves the high cost computational engineering problems of polymer systems and its functionality covers essential topics such as
- reactions
- electrostatics
- flow
- surface effects.
Mesoscale chemical engineering problems have never been simulated to this extent before. MESODYN is a traditional molecular modelling and chemical engineering software which is unique world-wide. As a result, it supports:
- the study of large and complex polymeric systems, which have never been approached by computational techniques
- the enhancement of the European expertise and the establishment of a leadership position of the European software technology in the field of mesoscale chemical engineering
- the provision of opportunities to the industrial partners to increase their commercial competitiveness.
In the production of the soft-condensed materials that surround us every day (shampoo, food, etc), the performance of the material is determined by a microstructure. This structure is larger than the size of a single molecule, but below the macroscopic scale. This level which covers sizes typically between 10 and 100 nm is called the 'mesoscale' and determines the final properties of polymeric materials. MESODYN predicts the size of structures at this level, describes the problem in mathematical terms and programmes the computer to do the hard work. New and powerful parallel computational techniques had to be used, to achieve this result at reasonable computer costs.
Project URL: http://www.fwn.rug.nl/mesodyn/
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