Adsorption of polymers on a brush: Tuning the order of the wetting phase transition

The Journal of Chemical Physics
Luis G Macdowell, Marcus Müller

Abstract

We develop a computational methodology for the direct measurement of a wetting transition and its order via the effective interface potential. The method also allows to estimate contact angles in the nonwet state and to study adsorption isotherms. The proposed methodology is employed in order to study the wetting behavior of polymers on top of a brush consisting of identical polymers. In the absence of long-range forces, the system shows a sequence of nonwet, wet, and nonwet states as the brush density is increased. Including attractive long-range interactions we can make the polymer liquid wet the bush at all grafting densities, and both first- and second-order wetting transitions are observed. The latter case is limited to a small interval of grafting densities where the melt wets the brush in the absence of long-range interactions. Second-order wetting transitions are preceded by a first-order surface transition from a thin to a thick adsorbed layer. The interval of second-order wetting transitions is limited at low grafting densities by a surface critical end point and at high grafting densities by a tricritical wetting point. Our study highlights the rich wetting behavior that results when competing adsorbent-substrate int...Continue Reading

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Citations

May 10, 2013·The Journal of Chemical Physics·Vaibhaw Kumar, Jeffrey R Errington
Jan 15, 2008·The Journal of Chemical Physics·Eric M Grzelak, Jeffrey R Errington
Nov 18, 2011·The Journal of Chemical Physics·Vaibhaw KumarJeffrey R Errington
Oct 26, 2010·The Journal of Chemical Physics·David M Trombly, Venkat Ganesan
Mar 20, 2012·The Journal of Chemical Physics·Rocio de GregorioLuis G MacDowell
Aug 10, 2011·The Journal of Chemical Physics·M BorówkoS Sokołowski
Dec 24, 2011·The Journal of Chemical Physics·Kaustubh S RaneJeffrey R Errington
Aug 15, 2015·Langmuir : the ACS Journal of Surfaces and Colloids·Zuzana Benková, M Natália D S Cordeiro
Aug 16, 2013·The Journal of Physical Chemistry. B·M BorówkoT Staszewski
Jun 4, 2008·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Da-Ming ZhuXianbin Du
Apr 22, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·F LéonforteM Müller
Jun 4, 2019·The Journal of Chemical Physics·Karnesh JainJeffrey R Errington
Jul 15, 2015·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Eva M FernándezPedro Tarazona
Aug 3, 2019·The Journal of Chemical Physics·Karnesh JainJeffrey R Errington
Aug 13, 2013·Physical Review Letters·Luis G MacDowellNebil A Katcho
Dec 17, 2020·Soft Matter·Liz I S MensinkJacco H Snoeijer
Jan 13, 2021·Nature Communications·David N SibleyLuis G MacDowell
Oct 13, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·C PastorinoK Binder
Oct 10, 2006·Physical Review Letters·Matteo BuzzacchiPeter Sollich
Aug 7, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Luis G Macdowell, Paweł Bryk
Mar 12, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Eric M GrzelakJeffrey R Errington
Jun 25, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·C BernardiniF A M Leermakers
Mar 22, 2019·Macromolecules·Liz I S MensinkSissi de Beer
Jan 5, 2018·ACS Omega·Luis G MacDowellAndrés Guerrero-Martinez
Jul 6, 2018·ACS Central Science·David Nieto SimavillaSimone Napolitano
May 15, 2007·The Journal of Physical Chemistry. B·Vincent K ShenJeffrey R Errington

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