Pore size effect on the separation of polymers by interaction chromatography. A Monte Carlo study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F19%3A10402997" target="_blank" >RIV/00216208:11310/19:10402997 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=1r3.rHyp-z" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=1r3.rHyp-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.aca.2019.03.017" target="_blank" >10.1016/j.aca.2019.03.017</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Pore size effect on the separation of polymers by interaction chromatography. A Monte Carlo study

Popis výsledku v původním jazyce

When the polymers are studied by interaction chromatography (IC) in porous media, the IC separation mechanism competes with the size-exclusion chromatography (SEC) mechanism and under specific conditions close to the critical adsorption point (CAP), the elution times of monodisperse polymer samples nonmonotonically depend on pore sizes. We performed Monte Carlo (MC) simulations to elucidate this intriguing effect. By analyzing the behavior of self-avoiding and intersecting chains in twodimensionally (2D)-confining square pores and in 1D-confining slits in good and Theta-solvents, we confirmed that the dimensionality of the confinement, more specifically, pore geometry, controls the chromatographic behavior. The nonmonotonic dependence of chromatographic characteristics on pore sizes occurs only in separations of self-avoiding chains on stationary phases composed of 2D-confining pores with strongly interacting walls. In agreement with experimental observations, the partition coefficient, K, increases with pore size, D, in narrow pores, peaks and then decreases in wider pores. The combination of thermodynamic and conformational analyses clearly showed that a complex interplay between enthalpy and entropy in 2D-confined media explains the nonmonotonic pore size dependence observed in the IC regime. The study specifies the region of conditions which endanger unambiguous interpretation of elution curves. Because the interplay of steric and adsorption effects takes place not only in chromatography, but also in other separation techniques (e.g., gel electrophoresis, nanofluidic techniques), the conclusions are generally relevant for all separations of large molecules in porous media.

Název v anglickém jazyce

Pore size effect on the separation of polymers by interaction chromatography. A Monte Carlo study

Popis výsledku anglicky

When the polymers are studied by interaction chromatography (IC) in porous media, the IC separation mechanism competes with the size-exclusion chromatography (SEC) mechanism and under specific conditions close to the critical adsorption point (CAP), the elution times of monodisperse polymer samples nonmonotonically depend on pore sizes. We performed Monte Carlo (MC) simulations to elucidate this intriguing effect. By analyzing the behavior of self-avoiding and intersecting chains in twodimensionally (2D)-confining square pores and in 1D-confining slits in good and Theta-solvents, we confirmed that the dimensionality of the confinement, more specifically, pore geometry, controls the chromatographic behavior. The nonmonotonic dependence of chromatographic characteristics on pore sizes occurs only in separations of self-avoiding chains on stationary phases composed of 2D-confining pores with strongly interacting walls. In agreement with experimental observations, the partition coefficient, K, increases with pore size, D, in narrow pores, peaks and then decreases in wider pores. The combination of thermodynamic and conformational analyses clearly showed that a complex interplay between enthalpy and entropy in 2D-confined media explains the nonmonotonic pore size dependence observed in the IC regime. The study specifies the region of conditions which endanger unambiguous interpretation of elution curves. Because the interplay of steric and adsorption effects takes place not only in chromatography, but also in other separation techniques (e.g., gel electrophoresis, nanofluidic techniques), the conclusions are generally relevant for all separations of large molecules in porous media.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GC17-04258J" target="_blank" >GC17-04258J: Vícerozměrné distribuce větvených a roubovaných kopolymerů</a><br>

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Analytica Chimica Acta

ISSN

0003-2670

e-ISSN

—

Svazek periodika

1064

Číslo periodika v rámci svazku

August

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

12

Strana od-do

126-137

Kód UT WoS článku

000464123500013

EID výsledku v databázi Scopus

2-s2.0-85062946497