Multicomponent predicting vapor-liquid-solid

Predicting Vapor-Liquid-Solid Equilibria in Multicomponent Aqueous Solutions of Electrolytes... 

It is evident from the title of this symposium that as a result of recent requirements to reduce pollutant levels in process wastewater streams, improved techniques for predicting the vapor-liquid-solid equilibria of multicomponent aqueous solutions of strong and/or weak electrolytes are needed. In addition to the thermodynamic models necessary for such predictions, tools have to be developed so that the engineer or scientist can use these thermodynamic models correctly and with relative ease. 

In developing the thermodynamic framework for ECES, we attempted to synthesize computer software that would correctly predict the vapor-liquid-solid equilibria over a wide range of conditions for multicomponent systems. To do this we needed a good basis which would make evident to the user the chemical and ionic equilibria present in aqueous systems. We chose as our cornerstone the law of mass action which simply stated says "The product of the activities of the reaction products, each raised to the power indicated by its numerical coefficient, divided by the product of the activities of the reactants, each raised to a corresponding power, is a constant at a given temperature. ... 

Despite these apparent weaknesses, within the context of a general purpose system for predicting the vapor-liquid-solid equilibria of multicomponent aqueous solutions, GCES as a tool succeeds remarkably well as will be seen in a few illustrations after the following description of the software structure and use. 

The directions of the mass and energy fluxes between the phases cannot be predicted because of the influence of convection in axial column direction, and due to the fact that multicomponent mass-transport phenomena may result in uphill transport [30]. There are three types of transport resistances present in the considered three-phase (vapor/liquid/solid) process... 

There are many types of phase diagrams in addition to the two cases presented here these are summarized in detail by Zief and Wilcox (op. cit., p. 21). Solid-liquid phase equilibria must be determined experimentally for most binaiy and multicomponent systems. Predictive methods are based mostly on ideal phase behavior and have limited accuracy near eutectics. A predic tive technique based on extracting liquid-phase activity coefficients from vapor-liquid equilib-... 

These three approaches have found widespread application to a large variety of systems and equilibria types ranging from vapor-liquid equilibria for binary and multicomponent polymer solutions, blends, and copolymers, liquid-liquid equilibria for polymer solutions and blends, solid-liquid-liquid equilibria, and solubility of gases in polymers, to mention only a few. In some cases, the results are purely predictive in others interaction parameters are required and the models are capable of correlating (describing) the experimental information. In Section 16.7, we attempt to summarize and comparatively discuss the performance of these three approaches. We attempt there, for reasons of completion, to discuss the performance of a few other (mostly) predictive models such as the group-contribution lattice fluid and the group-contribution Flory equations of state, which are not extensively discussed separately. 

Starting from either side of the phase diagram, the situation is very much like a liquid-vapor phase change One component will preferentially change phase, and the other component will become more and more concentrated within the remaining liquid. Until, that is, a certain composition labeled is reached Then the two components will freeze simultaneously, and the solid that forms will have the same composition as the liquid. This composition is called the eutectic composition. At this composition, this liquid acts as if it were a pure component, so the solid and liquid phases have the same composition when in equilibrium at the eutectic temperature Tg. This pure component is called the eutectic. The eutectic is similar to the azeotrope in liquid-vapor phase diagrams. Not all systems will have eutectics some systems may have more than one, and the composition of the eutectic(s) of a multicomponent system is characteristic of the components. That is, you cannot predict a eutectic for any given system. 

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