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A Monte Carlo study of the effect of polymer rigidity on adsorption behaviour
Institution:166121. Chemistry Department, University of Tennessee, Knoxville, TN 37996-1600, USA;1. College of Chemistry, Sichuan University, Chengdu 610064, China;2. State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;1. Laboratory of Materials and Interface Chemistry, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven, The Netherlands;2. Dept. of Electronics and Informatics, Vrije Universiteit Brussels, Pleinlaan 2, B-1050 Brussels, Belgium;1. Laboratoire d’Exploitation et Valorisation des Ressources Sahariennes (LEVRES), Faculté des Sciences et Technologie, Université d’EL Oued, 39000 El Oued, Algeria;2. Laboratoire Des Systèmes Electroniques Et Optroniques (LSEO), Ecole Militaire Polytechnique, 16111 Algiers, Algeria;3. Laboratoire d’Electronique Quantique (LEQ), Faculté de Physique, USTHB, BP No. 32 El-Alia, Bab-Ezzouar, 16111 Algiers, Algeria;4. Laboratoire de Physique des Lasers (LPL), Institut Galilée, UMR 7538–CNRS, Université Paris 13, 93430 Villetaneuse, France;1. Institut für Technische und Makromolekulare Chemie, RWTH Aachen University, Templergraben 55, 52056 Aachen, Germany;2. Institut für Instandhaltung und Korrosionsschutztechnik gGmbH, Kalkofen 4, 58638 Iserlohn, Germany;3. ExxonMobil Production Germany, Riethorst 12, 30659 Hannover, Germany
Abstract:The effect of copolymer sequence distribution and stiffness on the adsorption–desorption transition and configuration of an adsorbed polymer chain is examined by Monte Carlo methods. Trends in the adsorption–desorption transition temperatures show that the transition temperature of the block and alternating copolymers are determined by entropic factors while the copolymers with a random sequence distribution (block-ran, random, or alt-ran, defined below) are controlled by enthalpic considerations. Analysis of the conformation of adsorbed chains and monomer density profiles suggests that utilizing an adsorbed rigid copolymer may be useful at tuning the properties of an interface in a multiphase material. A block copolymer can be utilized to affect substantial surface coverage and extensive expansion away from the surface. Additionally, an increase in the rigidity of the diblock chain will improve the expansion of the chain in all three dimensions. Alternatively, random copolymer structures offer a chain that will adopt a flatter adsorbed configuration that offers more efficient surface coverage. In this case, the expansion of the copolymer along the surface can be enhanced by increasing the stiffness of the chain with little or no change in the expansion away from the interface.
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