کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
2100074 | 1082970 | 2006 | 5 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Multi-scale modelling of polymers: Perspectives for food materials Multi-scale modelling of polymers: Perspectives for food materials](/preview/png/2100074.png)
Understanding the relationship between the atomic/molecular structure and the properties of materials is the long-standing goal of fundamental materials research. Polymeric materials in general offer many particularly challenging hurdles to this understanding, because of a unique combination of generic as well as material specific aspects. This is especially also true for food polymers like polysaccharides, which exhibit strong intra- and inter-molecular interactions via the formation of hydrogen bonds. Systematic molecular coarse-graining techniques aim to understand such links without the need to perform fully atomistic calculations of the whole system. Typical problems are the diffusion of small molecules through a polymer matrix, surface interactions and dynamics of entangled polymeric melts. Here we illustrate this for a few examples and present perspectives for the use of coarse-grained simulations in food materials research.
Journal: Trends in Food Science & Technology - Volume 17, Issue 5, May 2006, Pages 215–219