نتایج جستجو برای: solid liquid equilibrium sle
تعداد نتایج: 514577 فیلتر نتایج به سال:
Distribution coefficients (K(d) values) describe contaminant partitioning between liquids and solids for linear sorption at equilibrium conditions. If experimentally-determined K(d) values do not represent sorption equilibria, errors are introduced in contaminant transport models. These errors may be further propagated when K(d) values are used to compare contaminant mobility under different ch...
Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different mechanisms, depending on the depth of the quench. For shallow quenches, the front propagation is via a nonlinear mechanism. For deep quenches, front propagation is ...
پیش تغلیظ و استخراج فاز جامد تکنیکی جدید برای تعیین مقادیر جزئی آلومینیوم است. آلومینیوم با متیل تیمول بلو تشکیل کمپلکس و با جاذب نفتالین و متیل اکتیل آمونیم کلراید (aliquat) در ستون تشکیل زوج یون می دهد. تمام آلومینیم ابقا شده روی ستون دراستون حل و جذب آن با اسپکتروفتومتر در ناحیه مرئی ماکزیمم لاندا 405 تعیین گردید. تاثیر عواملی نظیر ph، غلظت معرف، سرعت جریان آنالیت از ستون و حضور یونهای مزاحم...
In this paper, the liquid-vapour-solid system near triple-phase contact line in a microchannel heat sink is studied numerically. Molecular dynamics (MD) method is employed aiming to get a microscopic insight into the complex liquid-vapour-solid system. In the present model, the Lennard-Jones potential is applied to mono-atomic molecules of argon as liquid and vapour, and platinum as solid subst...
In this work is examined whether it is possible to predict solid-liquid-vapor phase equilibrium of ternary systems used in the SAS processing by the Peng-Robinson equation of state coupled with the LCVM mixing rules and the UNIFAC method for excess Gibbs free energy calculation. The enthalpy of fusion and the melting point temperature are estimated by group contribution methods. The results sho...
The aim of this study is to identify the best available inter-atomic potentials for molecular dynamics (MD) calculation of solidification of iron and then to use the best potential to calculate thermodynamic properties such as equilibrium melting temperature, enthalpy, heat capacity and solid-liquid interfacial free energy. Our study reveals that embedded atom method (EAM) potential developed b...
The thermodynamic treatment of the glass transition remains an issue of intense debate. When associated with the formalism of non-equilibrium thermodynamics, the lattice-hole theory of liquids can provide new insight in this direction, as has been shown by Schmelzer and Gutzow [J. Chem. Phys. 125, 184511 (2006)], by Möller et al. [J. Chem. Phys. 125, 094505 (2006)], and more recently by Tropin ...
Amorphous media at finite temperatures, be them liquids, colloids, or glasses, are made of interacting particles that move chaotically due to thermal energy, continuously colliding and scattering off each other. When the average configuration in these systems relaxes only at long times, one can introduce effective interactions that keep the mean positions in mechanical equilibrium. We introduce...
The motion of atoms on interatomic potential energy surfaces is fundamental to the dynamics of liquids and solids. An accelerator-based source of femtosecond x-ray pulses allowed us to follow directly atomic displacements on an optically modified energy landscape, leading eventually to the transition from crystalline solid to disordered liquid. We show that, to first order in time, the dynamics...
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