Structure, phase behavior, and inhomogeneous fluid properties of binary dendrimer mixtures.

نویسندگان

  • I O Götze
  • A J Archer
  • C N Likos
چکیده

The effective pair potentials between different kinds of dendrimers in solution can be well approximated by appropriate Gaussian functions. We find that in binary dendrimer mixtures the range and strength of the effective interactions depend strongly upon the specific dendrimer architecture. We consider two different types of dendrimer mixtures, employing the Gaussian effective pair potentials, to determine the bulk fluid structure and phase behavior. Using a simple mean field density functional theory (DFT) we find good agreement between theory and simulation results for the bulk fluid structure. Depending on the mixture, we find bulk fluid-fluid phase separation (macrophase separation) or microphase separation, i.e., a transition to a state characterized by undamped periodic concentration fluctuations. We also determine the inhomogeneous fluid structure for confinement in spherical cavities. Again, we find good agreement between the DFT and simulation results. For the dendrimer mixture exhibiting microphase separation, we observe a rather striking pattern formation under confinement.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Study of Volumetric Properties of N,N-Dimethyl Acetamide and 1-Alkanols Binary Mixtures at 298.15 K

In this study, the densities, excess molar volumes and partial molar volumes of four binary systems containing N,N-dimethyl acetamide (DMAc) with 1-alkanols (1-butanol up to 1-heptanol) are measured at 298.15 K. The results showed both constructive and expansive excess volumetric behavior for studying binary mixtures. Deviation values of heavy alcohol have more positive and less negative excess...

متن کامل

The Effects of Inhomogeneous Mechanical Properties of the Ferrite Phase on Dual Phase Steel’s Behavior

The microstructure of dual phase steels can be considered as a matrix of ferrite phase reinforced by martensite particles. Recent measurements show that the mechanical properties of the ferrite phase are changed with the distance from the martensite grains. In this paper, a new method has been proposed to consider this phenomenon in finite element modeling of dual phase steels microstructure. I...

متن کامل

Transport Properties of Refrigerant Mixtures: Thermal Conductivity

In the present work, the integral equations method is used to calculate transport properties of polar fluids. For this goal, we use the Stockmayer potential and examine theoretically the thermal conductivity of several refrigerant mixtures such as R125+R134a, R125+R32, R125+R152a, R134a+R32, R152a+R32, R134a+R143a, and R125+R143a. We solve numerically the Ornstein-Zernike (OZ) equation usin...

متن کامل

Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures

In this study the intermolecular potential energies of some environment-friendly industrial HFC refrigerants were obtained through the inversion method which is based on the corresponding states principle. These potentials were later employed in calculation of transport properties (viscosity, diffusion, thermal conductivity and thermal diffusion factor) of some binary and ternary refrigerant mi...

متن کامل

ذخیره 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 نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 124 8  شماره 

صفحات  -

تاریخ انتشار 2006