Pii: S0378-3812(01)00661-6

نویسندگان

  • Clare McCabe
  • Yurij V. Kalyuzhnyi
  • Peter T. Cummings
چکیده

The hard-sphere Yukawa chain (HSYC) fluid is a simple model for chain fluids and polymers in which each molecule is composed of freely-jointed tangent spheres. The spheres each have a hard core and an attractive interaction, written as a single Yukawa potential or as a sum of Yukawa potentials. We have calculated the phase equilibria and PVT behaviour of the HSYC fluid both theoretically and by Monte Carlo simulation. The theoretical approach is based on the analytic solution of the polymer mean spherical approximation for the HSYC fluid. By comparing the theory and simulation we are able to evaluate the accuracy of the theory. We find that in general the theory performs very well, thus, it provides an analytic route to an equation of state for a well-defined model of chain fluids. © 2002 Elsevier Science B.V. All rights reserved.

برای دانلود رایگان 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

Pii: S0378-3812(01)00435-6

The extended corresponding states principle has been applied on the prediction of the surface tension of pure molten alkali halides. The model uses liquid density and vapour pressure data of the salts of interest and of the reference salt, chosen to be NaCl, as the input for the calculation of temperature-dependent equivalent substance reducing ratios (ESRR). The model here described was alread...

متن کامل

Pii: S0378-3812(01)00448-4

An understanding of the relationship between chemical structure and lubricant performance is highly desirable from both a fundamental and a practical perspective, such knowledge being vital to improve the performance of mineral oils and to guide the design of future synthetic lubricants. The rheological properties of alkanes of intermediate molecular size (C20–C40) are of particular interest as...

متن کامل

Pii: S0378-3812(01)00527-1

Liquid–solid phase equilibrium measurements were carried out at various pressures and temperatures below the onset of crystallization in a mixture made up of a distribution of paraffins with composition exponentially decreasing from n-C6 to n-C36. Liquid and solid phases in partially frozen mixtures were separated by isobaric and isothermal filtration and analyzed by gas chromatography. Waxy so...

متن کامل

Pii: S0378-3812(01)00705-1

A methodology for multi-level conceptual design and analysis of crystallization-based separation processes involving electrolyte systems is presented. The methodology consists of three main parts: thermodynamic part (level 1), flowsheet design/analysis part (level 2) and flowsheet validation (simulation) part (level 3). In this paper, the integration of the thermodynamic and design/analysis par...

متن کامل

Pii: S0378-3812(01)00650-1

We have used Monte Carlo simulation and the Gibbs–Duhem integration technique to calculate temperature– composition and pressure–temperature phase diagrams for binary Lennard–Jones mixtures. We systematically explore Lennard–Jones parameter space to demonstrate how the features of these phase diagrams change as a function of diameter ratio, well-depth ratio, binary interaction parameter, and pr...

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

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002