Correlation for the variations with temperature of solute solubilities in high temperature water

Optimization of Subcritical Fluid Extraction of Bioactive Compounds Using Hansen Solubility Parameters

“…Predictive approaches to ascertain the solubility of solutes in sub‐ and supercritical fluids include application of group contribution methods (Klopman and others 1992; Pinho and others 1994), UNIFAC models (Fornari and others 2008), MOSCED models (Frank and others 2007), AQUAFAC models (Myrdal and others 1992), and a number of semi‐empirical equations (Miller and Hawthorne 2000; Clifford and Hawthorne 2002; del Valle and others 2006). Although experimental procedures have been established to measure the solubility of various low molecular weight solutes in subcritical water conditions (Mathis and others 2004), problems arise in using these methods for molecularly complex and very polar solutes in hot pressurized water; due to their high cost and low thermo‐stability at high temperatures and pressures.…”

Direct and Indirect Applications of Sub- and Supercritical Water in Food-Related Analysis

“…The approaches taken ranged from the use of general models to specific correlations aimed at the description of the aqueous solubilities for a specific class of solutes. A portion of the general models have been based on various thermodynamic approaches used before to describe the composition dependence of the activity coefficients in the liquid mixtures such as cubic-plus-association equation of state (Oliveira et al 2009), UNIQUAC, NRTL, Wilson, van Laar and regular solution equations (Alvarez and Saldaña 2011), COSMO-SAC theory (Saldaña et al 2012), regular solution theory-based approach (Fornari et al 2011), corresponding-states theory-based treatment (del Valle et al 2011), Peng-Robinson (PR) equation of state (Teoh et al 2013) or NRTL-PR combination (Escandell et al 2014).…”

Analysis of Predictive Thermodynamic Models for Estimation of Polycyclic Aromatic Solid Solubility in Hot Pressurized Water

“…In recent years, many efforts have been made to develop semi-empirical approaches [10][11][12][13] to correlate the solubility *Address correspondence to this author at the Instituto de Investigación en Ciencias de la Alimentación CIAL (CSIC-UAM) C/Nicolás Cabrera 9, Universidad Autónoma de Madrid, 28049 Madrid, Spain; Tel: +34910017927; Fax: +34910017900; E-mail: tiziana.fornari@uam.es of solids in HPW, based on the use of solute and solvent (water) physical properties. For example, Miller et al [10] developed a simple equation to relate the effect of increasing temperature on the solubility of polycyclic aromatic hydrocarbons (PAHs) in liquid water at high temperatures.…”

“…the solubility of the solute at ambient temperature, to estimate its solubility at higher temperatures. Del Valle et al [12] demonstrated the strong effect of other factors, such as critical temperature and acentric factor of the pure solute, and developed a new semi-empirical relationship for the solute solubility in HPW as a function of temperature. The results obtained demonstrated an excellent correlation of the solubility of 34 different compounds including PAHs, pesticides, flavanoidtype compounds and some essential oil components in HPW.…”

“…The above mentioned approaches [10][11][12][13] are based on the use of physical properties of both the solute and water (i.e. no energy interactions between like or unlike molecules are considered) and are good correlative methods but are not predictive tools.…”