A Modified van der Waals Mixture Theory for Associating Fluids: Application to Ternary Aqueous Mixtures
نویسندگان
چکیده مقاله:
In this study a simple and general chemical association theory is introduced. The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to perform Vapor-Liquid Equilibrium (VLE) calculations of aqueous ternary mixtures. The calculations are shown to be consistently improving the prediction over the non-associating case. Also, well known empirical models of NRTL and UNIQUAC are applied on the studied systems and their results are compared with proposed model.
منابع مشابه
a modified van der waals mixture theory for associating fluids: application to ternary aqueous mixtures
in this study a simple and general chemical association theory is introduced. the concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. the theory is applied to derive the distribution function of associated species. as a severe test the application of presented theory to the van der waals mixture model is introduced in order to perfo...
متن کاملA van der Waals-type equation of state for fluids with associating molecules.
The basic assumptions of van der Waals theory are contained in two well-known concepts: excluded volume (repulsive forces) and a homogeneous, isotropic field potential (attractive forces). We have superimposed on these, one more well-known concept: the existence of dimers, trimers, etc., at chemical equilibrium. With reasonable simplifying assumptions, we obtain a closed-form equation of state,...
متن کاملDynamic van der Waals theory.
We present a dynamic van der Waals theory starting with entropy and energy functional with gradient contributions. The resultant hydrodynamic equations contain the stress arising from the density gradient. It provides a general scheme of two-phase hydrodynamics involving the gas-liquid transition in nonuniform temperature. Some complex hydrodynamic processes with evaporation and condensation ar...
متن کاملSteady States of Some Models for Van der Waals Fluids
We study the steady states of some models for van der Waals uid. In particular, for a mass viscosity model, we show that there is no \cavitation" wave. We also consider the closed orbits, heteroclinic orbits, and their relation with Maxwell construction, for diierent models with regularization terms.
متن کاملStatistical mechanics of simple fluids: beyond van der Waals
Dense fluids, defined to include both dense gases and liquids, have the reputation of being especially difficult to deal with theoretically. This reputation is not undeserved. Unlike dilute gases and crystalline solids, which can be thought of as deviants from well understood ideal states, the ideal gas and the ideal harmonic crystal, the dense fluid lies far from any recognizable landmark. Thi...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ذخیره در منابع من قبلا به منابع من ذحیره شده{@ msg_add @}
عنوان ژورنال
دوره 31 شماره 4
صفحات 69- 76
تاریخ انتشار 2012-12-01
با دنبال کردن یک ژورنال هنگامی که شماره جدید این ژورنال منتشر می شود به شما از طریق ایمیل اطلاع داده می شود.
کلمات کلیدی
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023