Computer Study of Chromatographic Separation Process: A Monte Carlo Study of H-Shaped and Linear Homopolymers in Good Solvent.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F16%3A00458098" target="_blank" >RIV/67985858:_____/16:00458098 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/16:10325148 RIV/44555601:13440/16:43887488

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.macromol.5b02327" target="_blank" >http://dx.doi.org/10.1021/acs.macromol.5b02327</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.macromol.5b02327" target="_blank" >10.1021/acs.macromol.5b02327</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Computer Study of Chromatographic Separation Process: A Monte Carlo Study of H-Shaped and Linear Homopolymers in Good Solvent.

Popis výsledku v původním jazyce

The partitioning, of linear (L) and H-shaped polymers between bulk solvent and narrow pores with inert and attractive Walls and the conformational behavior of chains in pores was studied by Monte Carlo simulations. The polymer chains were modeled as self-avoiding walks in a good solvent. The concentration profiles in the pores, partition coefficients KH and KD and various structural characteristics were calculated as, functions of pore size and interaction parameter epsilon, ranging from a to -0.26. K-H is, higher than K-L in pores with nonattractive walls, but the difference decreases with increasing vertical bar epsilon vertical bar. Both partition coefficients equal for epsilon ca. -0.2, and later their sequence inverts. epsilon depends only slightly on chain architecture and chain length. The results are important from the experimental point of view because they show that the improperly chosen experimental conditions Can deteriorate SEC analysis of branched samples.

Název v anglickém jazyce

Computer Study of Chromatographic Separation Process: A Monte Carlo Study of H-Shaped and Linear Homopolymers in Good Solvent.

Popis výsledku anglicky

The partitioning, of linear (L) and H-shaped polymers between bulk solvent and narrow pores with inert and attractive Walls and the conformational behavior of chains in pores was studied by Monte Carlo simulations. The polymer chains were modeled as self-avoiding walks in a good solvent. The concentration profiles in the pores, partition coefficients KH and KD and various structural characteristics were calculated as, functions of pore size and interaction parameter epsilon, ranging from a to -0.26. K-H is, higher than K-L in pores with nonattractive walls, but the difference decreases with increasing vertical bar epsilon vertical bar. Both partition coefficients equal for epsilon ca. -0.2, and later their sequence inverts. epsilon depends only slightly on chain architecture and chain length. The results are important from the experimental point of view because they show that the improperly chosen experimental conditions Can deteriorate SEC analysis of branched samples.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

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

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Macromolecules

ISSN

0024-9297

e-ISSN

—

Svazek periodika

49

Číslo periodika v rámci svazku

3

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

1093-1102

Kód UT WoS článku

000370113300038

EID výsledku v databázi Scopus

2-s2.0-84957975609