Simulation with the IRIS Rheology Platform
Simulation is possible through the NAPLES code of Masubuchi et al.
NAPLES is the abbreviation for a "New Algorism for Polymeric Liquids Entangled and Strained". NAPLES can calculate molecular motion of highly entangled polymeric liquids of extremely long time relaxations while maintaining computational cost reasonably low. The code also took its name from the famous Italian city, the birth place of this code. The dynamics of the following polymer classes is implemented:
homopolymer monodisperse
homopolymer polydisperse
binary polymer blend
diblock co-polymer
References
- Masubuchi Y, Ianniruberto G, Greco F, Marrucci G (2004) Molecular simulations of longtime behavior of entangled polymeric liquids by the primitive chain network model, modelling simulation. Mat Sci Eng 12:91-100
- Masubuchi Y, Ianniruberto G, Greco F, Marrucci G (2003) Entanglement
molecular weight and frequency response of sliplink networks. J Chem Phys 119:6925-6930
- Masubuchi Y, Takimoto J, Koyama K, Ianniruberto G, Greco F, Marrucci G (2001) Brownian Simulations of a Network of Reptating Primitive Chains.
J Chem Phys 115:4387-4394
For further information on NAPLES see
NAPLES web site
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