Influence of chain stiffness on the micellization of block copolymers in a selective solvent as observed in Monte Carlo simulations

Adriani, Paul; Wang, Yongmei; Mattice, Wayne L.
May 1994
Journal of Chemical Physics;5/15/1994, Vol. 100 Issue 10, p7718
Academic Journal
The micellization in a selective solvent of a diblock copolymer with blocks of different stiffness is studied with Monte Carlo simulation on a cubic lattice. When the stiffness of the insoluble block increases, the critical micelle concentration (cmc) decreases and the averaged micelle size increases. On the other hand, an increase in the stiffness of the soluble block does not affect the micellization process to any appreciable extent. The decrease in the cmc when the stiffness of the insoluble block increases is interpreted as arising from the conformational contribution to the effective χ parameter. We interpret this contribution as being due to an increased number of heterocontacts between the insoluble block and the solvent molecules when the stiffness of the insoluble block increases.


Related Articles

  • Single chain in mean field simulations: Quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations. Daoulas, Kostas Ch.; Müller, Marcus // Journal of Chemical Physics;11/14/2006, Vol. 125 Issue 18, p184904 

    The description of fluctuations by single chain in mean field (SCMF) simulations is discussed and the results of this particle-based self-consistent field technique are quantitatively compared to Monte Carlo simulations of the same discretized Edwards-Hamiltonian providing exact reference data....

  • Multicanonical Monte Carlo simulations on intramolecular micelle formation in copolymers. Koga, Tsuyoshi // European Physical Journal E -- Soft Matter;Jul2005, Vol. 17 Issue 3, p381 

    The formation of intramolecular micelles in copolymers with periodic sequence, where hydrophobic units (stickers) are periodically placed along the chain, is studied by using multicanonical Monte Carlo computer simulations for an off-lattice bead-rod model in three dimensions. With decreasing...

  • Monte Carlo simulation of dendrimers in variable solvent quality. Giupponi, G.; Buzza, D. M. A. // Journal of Chemical Physics;6/1/2004, Vol. 120 Issue 21, p10290 

    We study via lattice Monte Carlo simulation and Flory theory the properties of g=1–6 dendrimers in variable solvent quality. For all the generations studied, we find that the radius of gyration Rg collapses significantly (factor of 2) going from athermal to extreme poor solvent...

  • The behavior of fluids near solutes: A density functional theory and computer simulation study. Reddy, Govardhan; Yethiraj, Arun // Journal of Chemical Physics;9/1/2004, Vol. 121 Issue 9, p4203 

    The density distribution of solvent near a solute particle is studied using density functional theory and Monte Carlo simulation. The fluid atoms interact with each other via a hard sphere plus Yukawa potential, and interact with the solute via a hard sphere potential. For small solute sizes,...

  • Monte Carlo simulations of infinitely dilute solutions of amphiphilic diblock star copolymers. Connolly, Ronan; Timoshenko, Edward G.; Kuznetsov, Yuri A. // Journal of Chemical Physics;10/22/2003, Vol. 119 Issue 16, p8736 

    Single-chain Monte Carlo simulations of amphiphilic diblock star copolymers were carried out in continuous space using implicit solvents. Two distinct architectures were studied: stars with the hydrophobic blocks attached to the core and stars with the polar blocks attached to the core, with all...

  • Monte Carlo Simulation of Copolymer Heterogeneity in Atom Transfer Radical Copolymerization of Styrene and N-Butyl Acrylate. Najafi, Mohammad; Roghani-Mamaqani, Hossein; Salami-Kalajahi, Mehdi; Haddadi-Asl, Vahid // World Academy of Science, Engineering & Technology;May2011, Issue 53, p489 

    No abstract available.

  • Monte Carlo simulation on symmetric ABA/AB copolymer blends in confined thin films. Jianhui Song; Yunqi Li; Qingrong Huang; Tongfei Shi; Lijia An // Journal of Chemical Physics;9/7/2007, Vol. 127 Issue 9, p094903 

    The effects of blend composition on morphology, order-disorder transition (ODT), and chain conformation of symmetric ABA/AB copolymer blends confined between two neutral hard walls have been investigated by lattice Monte Carlo simulation. Only lamellar structure is observed in all the simulation...

  • Phase behavior and structure formation in linear multiblock copolymer solutions by Monte Carlo simulation. Gindy, Marian E.; Prud'homme, Robert K.; Panagiotopoulos, Athanassios Z. // Journal of Chemical Physics;4/28/2008, Vol. 128 Issue 16, p164906 

    The solution phase behavior of short, strictly alternating multiblock copolymers of type (AnBn)m was studied using lattice Monte Carlo simulations. The polymer molecules were modeled as flexible chains in a monomeric solvent selective for block type A. The degree of block polymerization n and...

  • Monte Carlo Simulation for Ternary System of Water/Oil/ABA Triblock Copolymers. Nakagawa, Natsuko; Ohno, Kaoru // AIP Conference Proceedings;2/21/2008, Vol. 982 Issue 1, p497 

    We performed Monte Carlo simulation of water/oil/ABA triblock amphiphiles with hydrophilic A and hydrophobic B, on a 51×51×51 simple cubic lattice with periodic boundary conditions in x- and y-directions. Bond fluctuation model(BFM) was used to describe amphiphile, where excluded volume...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics