Abstract
Cost-optimization models are powerful tools for evaluating emerging water treatment processes. However, to date, optimization models do not incorporate detailed chemical reaction phenomena, limiting the assessment of pretreatment and mineral scaling. Moreover, novel approaches for high-salinity and high-recovery desalination are typically proposed without direct quantification of pretreatment needs or mineral scaling. This work addresses a critical gap in the literature by presenting a modeling framework that includes complex water chemistry predictions with process-scale optimization. We use this approach to conduct a technoeconomic assessment on a conceptual high-recovery treatment train that includes chemical pretreatment (i.e., soda ash softening and recarbonation) and membrane-based desalination (i.e., standard and high-pressure reverse osmosis). We demonstrate how to develop and integrate accurate multidimensional surrogate models for predicting precipitation, pH, and mineral scaling tendencies. Our findings show that cost-optimal results balance the costs of pretreatment with reverse osmosis system design. Optimizing across a range of water recoveries (i.e., 50-90%) reveals multiple cost-optimal schemas that vary the chemical dosing in pretreatment and the design and operation of reverse osmosis. Our results reveal that pretreatment costs can be more than double the cost of the primary desalination process at high recoveries due to the extensive pretreatment required to control scaling. This work emphasizes the importance of and provides a framework for including chemistry and mineral scaling predictions in the evaluation of emerging technologies in high-recovery desalination.