Monte Carlo Calculations of Polymer Adsorption at the Entrance of Cylindrical Pores in Flat Adsorbing Surfaces

References

• de Gennes , P. G. 1979 . Scaling Concepts in Polymer Physics Ithaca , , NY : Cornell University Press .
   Google Scholar
• Webb , E. B. III and Grest , G. S. 2002 . Interfaces between silicalite surfaces and liquid hexade‐cane: a molecular dynamics simulation . J. Chem. Phys. , 116 : 6311
   Web of Science ®Google Scholar
• Arya , G. , Maginn , E. J. and Chang , H. 2001 . Effect of the surface energy barrier on sorbate diffusion in AlPO 4—5 . J. Phys. Chem., B , 105 : 2725
   Web of Science ®Google Scholar
• Chandross , M. , Webb , E. B. III , Grest , G. S. , Martin , M. G. , Thompson , A. P. and Roth , M. W. 2001 . Dynamics of exchange at gas‐zeolite interfaces I: pure component n‐butane and isobutane . J. Phys. Chem., B , 105 : 5700
   Web of Science ®Google Scholar
• Hermsen , G. F. , de Geeter , B. A. , van der Vegt , N. F.A. and Wessling , M. 2002 . Monte Carlo simulation of partially confined polymers . Macromolecules , 35 : 5267
   Web of Science ®Google Scholar
• Bleha , T. , Mlýnek , J. and Berek , D. 1980 . Concentration dependence of chain dimensions and its role in gel chromatography . Polymer , 21 : 799
   Web of Science ®Google Scholar
• Davidson , M. G. , Suter , U. W. and Deen , W. M. 1987 . Equilibrium partitioning of flexible macromolecules between bulk solution and cylindrical pores . Macromolecules , 20 : 1141
   Web of Science ®Google Scholar
• Bleha , T. , Cifra , P. and Karasz , F. E. 1990 . The effects of concentration on partitioning of flexible chains into pores . Polymer , 31 : 1321
   Web of Science ®Google Scholar
• Lin , N. P. and Deen , W. M. 1990 . Effects of long‐ranged polymer‐pore interactions on the partitioning of linear polymers . Macromolecules , 23 : 2947
   Web of Science ®Google Scholar
• Gorbunov , A. A. and Skvortsov , A. M. 1995 . Statistical properties of confined macromolecules . Adv. Colloid Interface Sci. , 62 : 31
   Web of Science ®Google Scholar
• Cifra , P. and Bleha , T. 2000 . Steric exclusion/adsorption compensation in partitioning of polymers into micropores in good solvents . Polymer , 41 : 1003
   Web of Science ®Google Scholar
• Cifra , P. , Bleha , T. , Wang , Y. and Teraoka , Y. 2000 . Weak‐to‐strong penetration transition of macromolecules into a slit in theta solvent . J. Chem. Phys. , 113 : 8313
   Web of Science ®Google Scholar
• Park , P. J. , Chun , M. and Kim , J. 2000 . Partitioning and conformational behaviour of polyelectrolytes confined in a cylindrical pore . Macromolecules , 33 : 8850
   Web of Science ®Google Scholar
• Cifra , P. and Bleha , T. 2001 . Partition coefficients and the free energy of confinement from simulations of nonideal polymer systems . Macromolecules , 34 : 605
   Web of Science ®Google Scholar
• Gong , Y. and Wang , Y. 2002 . Partitioning of polymers into pores near the critical adsorption point . Macromolecules , 35 : 7492
   Web of Science ®Google Scholar
• van Vliet , J. H. , Luyten , M. C. and ten Brinke , G. 1992 . Scaling behavior of dilute polymer solutions confined between parallel plates . Macromolecules , 25 : 3802
   Web of Science ®Google Scholar
• Park , P. J. and Sung , W. 1998 . Polymer translocation induced by adsorption . J. Chem. Phys. , 108 : 3013
   Web of Science ®Google Scholar
• Carmesin , I. and Kremer , K. 1988 . The bond fluctuation method: a new effective algorithm for the dynamics of polymers in all spatial dimensions . Macromolecules , 21 : 2819
   Web of Science ®Google Scholar
• Frenkel , D. and Smit , B. 2002 . Understanding Molecular Simulation: From Algorithms to Applications , 2nd Ed. New York : Academic Press .
   Google Scholar
• Rosenbluth , M. N. and Rosenbluth , A. W. 1955 . Monte Carlo simulations of the average extension of molecular chains . J. Chem. Phys. , 23 : 356
   Web of Science ®Google Scholar
• Harris , J. and Rice , S. A. 1988 . A lattice model of a supported monolayer for amphiphilic molecules: Monte Carlo simulations . J. Chem. Phys. , 88 : 1298
   Web of Science ®Google Scholar
• Siepmann , J. I. 1990 . A method for the direct calculation of chemical potentials for dense chain systems . Mol. Phys. , 70 : 1145
   Web of Science ®Google Scholar
• DiMarzio , E. A. and Rubin , R. J. 1971 . Adsorption of a chain polymer between plates . J. Chem. Phys. , 55 : 4318
   Web of Science ®Google Scholar
• Leermakers , F. A.M. , van Male , J. and Skvortsov , A. M. 2001 . Coil‐to‐flower transition of a polymer chain pinned near a stepwise external potential: finite size effects . Macromolecules , 34 : 8294
   Web of Science ®Google Scholar
• Skvortsov , A. M. , Klushin , L. I. , van Male , J. and Leermakers , F. A.M. 2001 . First‐order coil‐to‐flower transition of a polymer chain pinned near a stepwise external potential: numerical, analytical, scaling analysis . J. Chem. Phys. , 115 : 1586
   Web of Science ®Google Scholar