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od 2020-09-20

Mgr Piotr Knychała | 2007-10 <> 2008-09

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0000-0003-2406-7165

24481296500

Publikacje Seminaria

	2.	Wołoszczuk S., Banaszak M., Knychała P., Lewandowski K., Radosz M.
		Alternating multiblock copolymers exhibiting protein-like transitions in selective solvents: A Monte Carlo study We present a lattice Monte Carlo study of a series of block copolymer chains in selective solvents of varying quality, first using a diblock chain of the length of N = 32 with a 16-16 microarchitecture, and then - two multiblock chains of N = 64 and N = 128, with (8-8)(4) and (16-16)(4) microarchitectures, respectively. We report a variety of thermodynamic and structural properties, such as energy, specific heat, end-to-end distance and radius of gyration both for the whole chain and for individual blocks. The simulations have demonstrated that a multiblock copolymer in a selective solvent exhibits protein-like behavior undergoing a two-step transition, first from a swollen state to a secondary 'pearl-necklace' state and then to a tertiary super-globular state as the solvent quality decreases, i.e. upon cooling. We have found that mean-squared end-to-end distances of multiblock chains decrease as the temperature is reduced, as expected. (C) 2008 Elsevier B.V. All rights reserved.
		Journal of Non-Crystalline Solids, 354(35-39), 4138-4142 (2008)
		DOI: 10.1016/j.jnoncrysol.2008.06.022 (Pobrane: 2020-10-21)

	1.	Wołoszczuk S., Banaszak M., Knychała P., Radosz M.
		Monte Carlo phase diagram of symmetric diblock copolymer in selective solvent With a lattice Monte Carlo method, we investigate 16-16 symmetric diblock in selective solvent, A-b-B/A, at 10 volume fractions from 1.0 to 0.1, and for each volume fraction, we perform simulations at up to 54 temperatures, using simulation boxes of different sizes. We report temperature dependencies for a number of quantities such as energy, specific heat, and mean-squared end-to-end distances and construct a phase diagram using the thermodynamic and structural quantities as well as snapshots of the selected configurations. The simulated phase diagram is compared with the experimental data of Lodge and co-workers for nearly symmetric poly(styrene-b-isoprene) mixed with dimethyl phthalate.
		Macromolecules, 41(15), 5945-5951 (2008)
		DOI: 10.1021/ma0718346 (Pobrane: 2020-10-23)

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