Lattice mean-field method for stationary polymer diffusion

被引:8
|
作者
Scheinhardt-Engels, SM [1 ]
Leermakers, FAM [1 ]
Fleer, GJ [1 ]
机构
[1] Univ Wageningen & Res Ctr, Lab Phys Chem & Colloid Sci, NL-6703 HB Wageningen, Netherlands
来源
PHYSICAL REVIEW E | 2003年 / 68卷 / 01期
关键词
D O I
10.1103/PhysRevE.68.011802
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We present a method to study mean-field stationary diffusion (MFSD) in polymer systems. When gradients in chemical potentials vanish, our method reduces to the Scheutjens-Fleer self-consistent field (SF-SCF) method for inhomogeneous polymer systems in equilibrium. To illustrate the concept of our MFSD method, we studied stationary diffusion between two different bulk mixtures, containing, for simplicity, noninteracting homopolymers. Four alternatives for the diffusion equation are implemented. These alternatives are based on two different theories for polymer diffusion (the slow- and fast-mode theories) and on two different ways to evaluate the driving forces for diffusion, one of which is in the spirit of the SF-SCF method. The diffusion profiles are primarily determined by the diffusion theory and they are less sensitive to the evaluation of the driving forces. The numerical stationary state results are in excellent agreement with analytical results, in spite of a minor inconsistency at the system boundaries in the numerical method. Our extension of the equilibrium SF method might be useful for the study of fluxes, steady state profiles and chain conformations in membranes (e.g., during drug delivery), and for many other systems for which simulation techniques are too time consuming.
引用
收藏
页数:15
相关论文
共 50 条
  • [11] MEAN-FIELD THEORIES FOR MULTIDIMENSIONAL DIFFUSION
    KAUFMAN, AD
    WHALEY, KB
    JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (05): : 2758 - 2767
  • [12] Suppression of oscillations in mean-field diffusion
    Kamal, Neeraj Kumar
    Sharma, Pooja Rani
    Shrimali, Manish Dev
    PRAMANA-JOURNAL OF PHYSICS, 2015, 84 (02): : 237 - 247
  • [13] Suppression of oscillations in mean-field diffusion
    NEERAJ KUMAR KAMAL
    POOJA RANI SHARMA
    MANISH DEV SHRIMALI
    Pramana, 2015, 84 : 237 - 247
  • [14] MEAN-FIELD THEORY OF POLYMER MELTING
    BASCLE, J
    GAREL, T
    ORLAND, H
    JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1992, 25 (23): : L1323 - L1329
  • [15] A MEAN-FIELD EQUATION FOR A COSINE INTERACTION ON A LATTICE
    EAB, CH
    CHALERMSRI, R
    PHYSICA A, 1989, 161 (03): : 539 - 552
  • [16] An effective mean-field method for describing surface effects in polymer layers
    A. V. Maksimov
    O. G. Maksimova
    D. V. Diordiichuk
    Bulletin of the Russian Academy of Sciences: Physics, 2013, 77 (8) : 1073 - 1075
  • [17] Ground States for a Stationary Mean-Field Model for a Nucleon
    Maria J. Esteban
    Simona Rota Nodari
    Annales Henri Poincaré, 2013, 14 : 1287 - 1303
  • [18] FLUCTUATION EFFECTS ON THE MEAN-FIELD APPROXIMATION IN THE SLAVE BOSON METHOD FOR THE ANDERSON LATTICE
    HARIGAYA, K
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1990, 2 (14) : 3259 - 3272
  • [19] Mean-field and fluctuation analysis of a forced turbulence simulated by the lattice Boltzmann method
    Sakikawa, W
    Narikiyo, O
    MODERN PHYSICS LETTERS B, 2004, 18 (12-13): : 583 - 596
  • [20] Two Numerical Approaches to Stationary Mean-Field Games
    Noha Almulla
    Rita Ferreira
    Diogo Gomes
    Dynamic Games and Applications, 2017, 7 : 657 - 682