Thermodynamic Phase and Chemical Equilibrium at 0-110 deg C for the H(+) -K(+) -Na(+) -Cl(-) -H2O System up to 16 Molal and the HNO3-H2O System up to 20 Molal using an Association-Based Pitzer Model Compatible with ASPEN Plus.

Nichols, T. T. ; Taylor, D. D.

Technical Information Center Oak Ridge Tennessee

关键词: Thermodynamics;    Chemical equilibrium;    Chlorides;    Nitric acid;    Atmospheric pressure;   

RP-ID  :  DE2004819868

学科分类：工程和技术（综合）

美国|英语

来源: National Technical Reports Library

【 摘 要 】

A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems. This work was funded by the Laboratory Directed Research and Development (LDRD) program at the Idaho National Engineering and Environmental Laboratory (INEEL). The Pitzer model was originally developed for the 0-6 molal range, so many of the Pitzer parameter values in the literature are not applicable to high ionic-strength, complex mixtures, such as 10 molal SBW. The objective of this project is to obtain association-based parameters for the Pitzer model that will allow practitioners to perform process design involving liquid speciation, vapor-liquid, and solid-liquid equilibria of high ionic-strength, complex, electrolyte mixtures at 0-100 degrees C within any process simulator where Pitzer's model has been implemented.