Modeling diffusion of adsorbed polymer with explicit solvent.
نویسندگان
چکیده
Computer simulations of a polymer chain of length N strongly adsorbed at the solid-liquid interface in the presence of explicit solvent are used to delineate the factors affecting the N dependence of the polymer lateral diffusion coefficient, D(||). We find that surface roughness has a large influence, and D(||) scales as D(||) approximately N(-x), with x approximately 3/4 and x approximately 1 for ideal smooth and corrugated surfaces, respectively. The first result is consistent with the hydrodynamics of a "particle" of radius of gyration R(G) approximately N(nu) (nu=0.75) translating parallel to a planar interface, while the second implies that the friction of the adsorbed chains dominates. These results are discussed in the context of recent measurements.
منابع مشابه
Modeling the Thermodynamic Properties of Solutions Containing Polymer and Electrolyte with New Local Composition Model
A new theory model based on the local composition concept (TNRF-modified NRTL (TNRF-mNRTL) model) was developed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. An equation represented the activity coefficient of solvent was derived from the proposed excess Gibbs energy equation. The short-range contribution of interaction ...
متن کاملA comparison of implicit- and explicit-solvent simulations of self-assembly in block copolymer and solute systems.
We have developed explicit- and implicit-solvent models for the flash nanoprecipitation process, which involves rapid coprecipitation of block copolymers and solutes by changing solvent quality. The explicit-solvent model uses the dissipative particle dynamics (DPD) method and the implicit-solvent model uses the Brownian dynamics (BD) method. Each of the two models was parameterized to match ke...
متن کاملTheophylline-Ethylcellulose Microparticles: Screening of the Process and Formulation Variables for Preparation of Sustained Release Particles
Objective(s) The aim of this study was to formulate and evaluate microencapsulated controlled release preparations of theophylline using ethylcellulose as the retardant material with high entrapment efficiency. Materials and Methods Microspheres were prepared by water-in-oil-in-oil (W/O1/O2) emulsion-solvent diffusion (ESD). A mixed solvent system consisting of acetonitrile and dichloromet...
متن کاملDynamics of adsorbed polymers on attractive homogeneous surfaces
Dynamic behaviors of polymer chains adsorbed on an attractive, homogeneous surface are studied by using dynamic Monte Carlo simulations. The translational diffusion coefficient Dxy parallel to the surface decreases as the intra-polymer attraction strength EPP or the polymer-surface attraction strength EPS increases. The rotational relaxation time τR increases with EPS, but the dependence of τR ...
متن کاملHomo-polymers with balanced hydrophobicity translocate through lipid bilayers and enhance local solvent permeability
Recent experimental studies indicate that polymeric structures with a well-adjusted balance of amphiphilic parts may translocate through self-assembled phospholipid bilayers and enhance the passive trans-membrane transport of smaller molecules. Using a coarse grained lattice Monte Carlo model with explicit solvent we investigate self-assembled lipid bilayers interacting with a linear polymer ch...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review letters
دوره 98 21 شماره
صفحات -
تاریخ انتشار 2007