14-04U

# 14-04U

By - Posted on 01 September 2014

UDC:
530.145
PACS:
61.25.Hq, 61.20.Ja, 89.75.Da

Universal shape properties of a long flexible polymer chain in the dissipative particle dynamics method

O.Yu. Kalyuzhnyi
Ja.M. Ilnytskyi
Yu.V. Holovatch

In this paper we address the question of shape which is acquired by the long flexible polymer macromolecule in a good solvent. In particular, we are interested in the universal shape properties that are shared by polymers of different chemical content and depend on the space dimension $d$ only. So far, the latter were analyzed mainly using the self avoiding walk representation of a polymer chain. Here, we perform a series of simulations for a linear polymer chain using dissipative particle dynamics based on realistic intermolecular potentials. Our results for the mean prolateness, asphericity and size ratio at $d=3$ – $\langle A_3 \rangle\simeq 0.42$, $\langle S_3 \rangle \simeq 0.52$, $g_3\simeq6.21$ – are in a good agreement with available analytic and MC simulation data and give an evidence of the universality of polymer coil shape under realistic conditions.

Year:
2014
Pages:
17