Oscillatory Melting Temperature of Stockmayer Fluid in Slit Pores

نویسندگان

  • Chandan K. Das
  • Jayant K. Singh
چکیده

The melting transition of bulk and confined Stockmayer fluids (μ = 1) is analyzed using molecular dynamic simulations. The solid−liquid coexistence temperature is evaluated using a modified three-stage pseudosupercritical transformation path. The bulk melting temperature calculated using the aforementioned method agrees well with the literature value. Melting temperatures of the Stockmayer fluid confined in Lennard-Jones (LJ) 9−3 slit pore of pore size, H, varying from 6 to 20 molecular diameters are reported. For H ≤ 12 molecular diameters, the shift in the melting temperature for the Stockmayer fluid is oscillatory in nature with the inverse of the pore size. However, for higher H the shift in melting temperature obeys the Gibbs− Thomson equation. The thermodynamic melting temperatures of the Stockmayer fluid under confinement, for variable pore sizes, are found to be usually higher than that of the bulk fluid. The structural and orientational order parameters are also presented, which suggest similarity in the structures of confined LJ and confined Stockmayer fluids.

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

Melting transition of Lennard-Jones fluid in cylindrical pores.

Three-stage pseudo-supercritical transformation path and multiple-histogram reweighting technique are employed for the determination of solid-liquid coexistence of the Lennard-Jones (12-6) fluid, in a structureless cylindrical pore of radius, R, ranging from 4 to 20 molecular diameters. The Gibbs free energy difference is evaluated using thermodynamic integration method by connecting solid and ...

متن کامل

Global phase diagrams for freezing in porous media

Using molecular simulations and free energy calculations based on Landau theory, we show that freezing/melting behavior of fluids of small molecules in pores of simple geometry can be understood in terms of two main parameters: the pore width H* ~expressed as a multiple of the diameter of the fluid molecule! and a parameter a that measures the ratio of the fluid-wall to the fluid–fluid attracti...

متن کامل

Molecular simulation study of vapor-liquid critical properties of a simple fluid in attractive slit pores: crossover from 3D to 2D.

We present the effect of surface attraction on the vapor-liquid equilibria of square well (SW) fluids in slit pores of varying slit width from quasi 3D to 2D regime using molecular simulation methodologies. Four to five distinct linear regimes are found for shift in the critical temperature with inverse slit width, which is more prominent at higher surface fluid interaction strength. On the oth...

متن کامل

Phase transitions and ordering of confined dipolar fluids.

We apply a modified mean-field density functional theory to determine the phase behavior of Stockmayer fluids in slit-like pores formed by two walls with identical substrate potentials. Based on the Carnahan-Starling equation of state, a fundamental-measure theory is employed to incorporate the effects of short-ranged hard-sphere-like correlations while the long-ranged contributions to the flui...

متن کامل

Electric double layer capacitance of restricted primitive model for an ionic fluid in slit-like nanopores: A density functional approach.

We apply recently developed version of a density functional theory [Z. Wang, L. Liu, and I. Neretnieks, J. Phys.: Condens. Matter 23, 175002 (2011)] to study adsorption of a restricted primitive model for an ionic fluid in slit-like pores in the absence of interactions induced by electrostatic images. At present this approach is one of the most accurate theories for such model electric double l...

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 2014