Computer simulation of polymers in thin layers. I. Polymer melt between neutral walls – static properties

Pakula, Tadeusz
September 1991
Journal of Chemical Physics;9/15/1991, Vol. 95 Issue 6, p4685
Academic Journal
Systems of linear chains on the face centered cubic lattice with all lattice sites occupied are simulated by the cooperative motion method. Static properties of chains are analyzed and various statistical models of chain shapes are presented, differing in details of individual chain states taken into account. The structure of thin layers of a polymer melt confined between two parallel neutral walls is compared with the melt structure in bulk. It is shown that the effect of neutral walls consists mainly in reorientation of cigar-shaped chains in the vicinity of walls, but not in changes of dimensions and shapes of chains.


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