Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields

Abstract

We investigate the structure and phase behavior of the Stockmayer fluid in the presence of nonuniform electric fields using molecular simulation. We find that an initially homogeneous vapor phase undergoes a local phase separation in a nonuniform field due to the combined effect of the field gradient and the fluid vapor-liquid equilibrium. This results in a high-density fluid condensing in the strong field region. The system polarization exhibits a strong field dependence due to the fluid condensation.

ESPResSo 4.0 – an extensible software package for simulating soft matter systems

“…(ii) Advanced algorithms for rare-event sampling and the reconstruction of free-energy landscapes [77,78]. (iii) Monte-Carlo methods [79]. (iv) An interface to Python analysis package MDAnalysis.…”

Solvation of narrow pores of graphene-like plates in simple dipolar liquids: Wetting and dewetting behavior and solvent dynamics for varying pore width and solute–solvent interaction

“…However, studies of the solvation of explicitly modeled hydrophobic surfaces in simple non-hydrogen bonded dipolar liquids have not received much attention although such studies are expected to provide useful information on hydrophobic solute-solvent interactions. We note that use of such a simple model of spherical dipolar molecules has provided significant insights into many critical phenomena such as those occurring at polar liquidvapor interfaces, during the self-assembly of lipid molecules in water, for self-assembling polymers, the stability of a ferroelectric liquid phase and also for molecular rotation and solvation dynamics in dipolar liquids [72][73][74][75][76][77][78][79][80][81][82][83][84][85][86][87]. Also, when combined with additional interactions, the model of spherical dipolar molecules can form the basis for meaningful and efficient models for complex liquids such as water [88,89].…”

Accelerated Inertial Regime in the Spinodal Decomposition of Magnetic Fluids

“…The SM fluid is realized by ferrofluids and other magneto-rheological fluids which have applications and technological promise. Detailed investigations have revealed that for sufficient concentration of the magnetic dipoles, the SM fluid undergoes a gas-liquid (GL) phase transition on cooling [15][16][17][18]. A natural question then is: What are the consequences of the long-range dipole-dipole interactions on the coarsening magnetic liquid phase?…”

“…The SM particles thus experience isotropic short-range van der Waal's attraction as well as anisotropic long-range dipolar interactions. Their interplay yields a phase transition from a paramagnetic gas phase to a GL co-existence phase when the SM fluid is cooled below the critical temperature T c [15][16][17][18]. This transition is believed to occur for all values of the dipole moment µ.…”

“…(Larger values of µ increase T c and enlarge the coexistence region.) The phase diagram has been determined by many authors for a range of µ values using Monte Carlo and MD simulations [15][16][17][18]21].…”