Dilute solution of ring and star polymers in confined geometries: theory and simulations / Zoriana Danel, Joanna Halun, Pawel Karbowniczek, Piotr Kuterba // W: CCP2021 : XXXII IUPAP Conference on Computational ... więcej

Dilute solution of ring and star polymers in confined geometries: theory and simulations / Zoriana Danel, Joanna Halun, Pawel Karbowniczek, Piotr Kuterba // W: CCP2021 : XXXII IUPAP Conference on Computational Physics, 2-5 August 2021 [Dokument elektroniczny]. – Coventry ; Chemnitz : International Union of Pure and Applied Physics (IUPAP), 2021. – S. 163. – Tryb dostępu: https://ccp2021.complexity-coventry.org/book_of_abstracts.pdf. – Oznaczenie ref./art.: SM2.6. – Tyt. źródła wg okł.

The calculations of the dimensionless layer monomer density profiles for a dilute solution of phantom ideal ring polymer chains and star polymers with f=4 arms in a Θ - solvent confined in a slit geometry ... więcej

The calculations of the dimensionless layer monomer density profiles for a dilute solution of phantom ideal ring polymer chains and star polymers with f=4 arms in a Θ - solvent confined in a slit geometry of two parallel walls with two repulsive surfaces and with one repulsive and the other one inert surface as well as in a solution of big colloidal particles with different adsorbing or repelling properties in respect to polymers were performed. The density-force relation for the above mentioned cases was analyzed and the universal amplitude ratio B was obtained. Taking into account the small sphere expansion allowed to obtain the monomer density profiles for a dilute solution of phantom ideal ring polymers immersed in a solution of small spherical particles, or nano-particles of finite size which are much smaller than the polymer size and other characteristic mesoscopic length of the system. The molecular dynamic simulations of a dilute solution of linear (N=300), ring (N=300 and 360) and star-shaped polymers with four arms with number of monomers N=4 x 300+1 were performed. The interaction of the neighboring monomers was modeled by the finite extensible nonlinear elastic (FENE) and the Weeks-Chandler-Andersen (WSA) potentials for the attractive and repulsive part, respectively. The long-range interactions between monomers along the chain took into account via the 12-6 Lennard-Jones potential and the interaction of the monomers with the walls was modeled by the 9-3 Lennard-Jones potential with a variable cut-off. The obtained analytical and numerical results for ring and star polymers are compared with the results for liner polymer chains in confined geometries.