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

Result code in 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>
Result on the web
<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>

Result language
angličtina
Original language name
Computer study of chromatographic separation of mixtures of H-shaped and linear polymers in good and theta-solvents
Original language description
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).
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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