Computer study of chromatographic separation of mixtures of H-shaped and linear polymers in good and theta-solvents

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F16%3A10332107" target="_blank" >RIV/00216208:11310/16:10332107 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.polymer.2016.09.086" target="_blank" >http://dx.doi.org/10.1016/j.polymer.2016.09.086</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.polymer.2016.09.086" target="_blank" >10.1016/j.polymer.2016.09.086</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Computer study of chromatographic separation of mixtures of H-shaped and linear polymers in good and theta-solvents

Popis výsledku v původním jazyce

The general principles of chromatographic separation of mixtures of linear (L) and H-shaped polymers were studied by Monte Carlo simulations. The study focuses on the conditions relevant for experimental chromatography (mild steric confinement, low concentration, etc.). The polymer chains were modeled as self-avoiding walks either in a good or in q-solvent. The partition coefficient K-H is higher than K-L in pores with non-attractive walls and the difference (K-H = K-L) in the mixture exceeds that based on values for single-chain systems, but it decreases with increasing vertical bar epsilon(w)vertical bar. For epsilon(w)* ca. -0.18, the partition coefficients equal (K-H = K-L) and later their sequence inverts. Evaluation of the concentration profiles and structural characteristics of the chains at different distances from the wall reveals that more deformable linear polymers preferentially accumulate close to the walls and orient parallel with the wall (mainly in the case of attractive walls).

Název v anglickém jazyce

Computer study of chromatographic separation of mixtures of H-shaped and linear polymers in good and theta-solvents

Popis výsledku anglicky

The general principles of chromatographic separation of mixtures of linear (L) and H-shaped polymers were studied by Monte Carlo simulations. The study focuses on the conditions relevant for experimental chromatography (mild steric confinement, low concentration, etc.). The polymer chains were modeled as self-avoiding walks either in a good or in q-solvent. The partition coefficient K-H is higher than K-L in pores with non-attractive walls and the difference (K-H = K-L) in the mixture exceeds that based on values for single-chain systems, but it decreases with increasing vertical bar epsilon(w)vertical bar. For epsilon(w)* ca. -0.18, the partition coefficients equal (K-H = K-L) and later their sequence inverts. Evaluation of the concentration profiles and structural characteristics of the chains at different distances from the wall reveals that more deformable linear polymers preferentially accumulate close to the walls and orient parallel with the wall (mainly in the case of attractive walls).

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Polymer

ISSN

0032-3861

e-ISSN

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Svazek periodika

104

Číslo periodika v rámci svazku

104

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

12

Strana od-do

10-21

Kód UT WoS článku

000386927700002

EID výsledku v databázi Scopus

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