title: Measurement of Setschenow constants for six hydrophobic compounds in simulated brines and use in predictive modeling for oil and gas systems.
abstract: Treatment and reuse of brines, produced from energy extraction activities, requires aqueous solubility data for organic compounds in saline solutions. The presence of salts decreases the aqueous solubility of organic compounds (i.e. salting-out effect) and can be modeled using the Setschenow Equation, the validity of which has not been assessed in high salt concentrations. In this study, we used solid-phase microextraction to determine Setschenow constants for selected organic compounds in aqueous solutions up to 2-5 M NaCl, 1.5-2 M CaCl2, and in Na-Ca binary electrolyte solutions to assess additivity of the constants. These compounds exhibited log-linear behavior up to these high NaCl concentrations. Log-linear decreases in solubility with increasing salt concentration were observed up to 1.5-2 M CaCl2 for all compounds, and added to a sparse database of CaCl2 Setschenow constants. Setschenow constants were additive in binary electrolyte mixtures. New models to predict CaCl2 and KCl Setschenow constants from NaCl Setschenow constants were developed, which successfully predicted the solubility of the compounds measured in this study. Overall, data show that the Setschenow Equation is valid for a wide range of salinity conditions typically found in energy-related technologies.
authors.affiliation: Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA.
authors.forename: Aniela
authors.initials: A
authors.lastname: Burant
authors.affiliation: Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA.
authors.forename: Gregory V
authors.initials: GV
authors.lastname: Lowry
authors.affiliation: Department of Civil and Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA. Electronic address: akaramal@andrew.cmu.edu.
authors.forename: Athanasios K
authors.initials: AK
authors.lastname: Karamalidis
mesh_terms: D004573:Electrolytes / Q000737:chemistry; D057927:Hydrophobic and Hydrophilic Interactions; D008962:Models, Theoretical; D000066388:Oil and Gas Industry; D009930:Organic Chemicals / Q000737:chemistry*; D012492:Salts; D052617:Solid Phase Microextraction; D012995:Solubility; D062065:Wastewater / Q000737:chemistry*
chemical_list: D004573:Electrolytes; D009930:Organic Chemicals; D012492:Salts; D062065:Wastewater; C017082:brine
keywords: Brines; Hydrophobic organic compounds; Oil and gas; Salting-out; Setschenow equation; Solubility