Pii: S0378-3812(02)00022-5

نویسندگان

  • S. B. Kiselev
  • J. F. Ely
  • L. Lue
چکیده

We develop a crossover equation of state (EOS) for square-well fluids with varying well width. This equation yields the exact second and third virial coefficients, and accurately reproduces first-order (high-temperature) perturbation theory results. In addition, this EOS yields the correct scaling exponents near the critical point. We perform extensive new molecular dynamics and Monte Carlo simulations in the one-phase region for varying well widths of λ = 1.5, 2.0, and 3.0. We fit the parameters of our EOS to one-phase and two-phase thermodynamic data from our simulations and those of previous researchers. The resulting EOS is found to represent the thermodynamic properties of these square-well fluids to less than 1% deviation in internal energy and density and 0.1% deviation in vapor pressure. © 2002 Elsevier Science B.V. All rights reserved.

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

Pii: S0378-3812(02)00178-4

A comprehensive model has been developed for the calculation of speciation, phase equilibria, enthalpies, heat capacities and densities in mixed-solvent electrolyte systems. The model incorporates chemical equilibria to account for chemical speciation in multiphase, multicomponent systems. For this purpose, the model combines standard-state thermochemical properties of solution species with an ...

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)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)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

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:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002