Molecular thermodynamics for scaling prediction: Case of membrane distillation

Electrolyte Thermodynamic Models in Aspen Process Simulators and Their Applications

“…The eNRTL model in Aspen Properties has been used to model many industrial electrolyte systems and processes to support calculations of thermodynamic properties, calorimetric properties, fluid phase equilibria including salt solubilities, and heat and mass balances. Some prominent industrial applications includes acid gas removal, sour water stripping, sulfuric acid production, caustic brine evaporation, nitric acid dehydration, − trona processing, hybrid sulfur cycle process for hydrogen production, high salinity brines treatment and desalination, , CO 2 capture with aqueous amine solutions − and with aqueous potassium carbonates, and, most recently, CO 2 solubility in brine solutions for sequestration in deep saline aquifers, , etc. As an illustration, Figure shows the experimental data and the eNRTL model results for CO 2 solubility in pure water, 10 wt % single salt solutions, and 10 wt % mixed salt solutions of NaCl + KCl (1:1 weight ratio), NaCl + CaCl 2 (1:1 weight ratio), KCl + CaCl 2 (1:1 weight ratio), and NaCl + KCl + CaCl 2 (1:1:1 weight ratio) at 318.15 K. The applications on CO 2 capture with aqueous amine solutions and high salinity brine treatments are briefly summarized below.…”

Comparative Energetics of Various Membrane Distillation Configurations and Guidelines for Design and Operation

“…There have been various reports that systematically investigated the membrane flux and energy efficiency of different MD configurations [ 15 , 16 , 17 , 18 , 19 ]. Eykens et al experimentally identified the suitable configuration and membrane selection under different working conditions, including feed temperature, flow rate, and salinity [ 19 ].…”

“…The energy efficiency of an evaporation-based desalination process is typically quantified as gained output ratio (GOR), defined as the ratio of the latent heat of evaporation over the amount of heat supplied to the system to produce 1 kg of water [ 6 ]. GOR is directly affected by filtration system parameters, such as membrane characteristics, module size (i.e., membrane area defined as width × length) and configuration, heat integration scheme, and flow conditions [ 15 , 16 , 17 , 18 , 19 ]. An ideal membrane for MD should have low resistance to vapor transfer and high resistance to heat transfer by conduction.…”

“…Currently, some desalination studies treat saline solutions as ideal solutions [ 25 ], which simply assume an ideal behavior for a nonideal electrolyte solution and do not consider the dissociation of the solute. However, the ionic components in the saline feed have a notable influence on the phase equilibrium properties, such as vapor pressure and solubilities of gases and salts, especially for high-salinity brines [ 16 , 26 , 27 , 28 , 29 ]. Different approaches have been proposed to take into account the nonideal behavior of the aqueous electrolyte solution, such as correlations for seawater thermodynamic properties [ 30 ], the Pitzer model [ 31 ], and the electrolyte NRTL models [ 32 ].…”

“…More importantly, the model has proven to be reliable in predicting thermodynamic properties over a wide dissolved solid concentration range [ 26 , 33 ]. The electrolyte NRTL model is considered in this work to calculate the thermophysical and transport properties of hypersaline water due to its high accuracy and readily available model parameters [ 16 , 26 , 27 , 34 ].…”