Topic Area 1: Process Innovation and Intensification
Project 5.02Platform Process for Electrified Pretreatment
Lead: David Jassby, University of California at Los Angeles
Project 5.03Foundational Control Methods For Water Treatment Systems
Lead: Kris Villez, Oak Ridge National Laboratory
Project 5.04Computational Test Bed for Predictive Fouling Control
Lead: Dan Miller, Lawrence Berkeley National Laboratory
Project 5.05CFD modeling and operando measurements of multiscale heat and mass transfer for membrane module customization
Lead: Meagan Mauter, Stanford University
Project 5.06 Novel Electro-dialytic Crystallizer (EDC) for Energy Efficient Zero-liquid Discharge
Lead: Shihong Lin, Vanderbilt
Thermodyanmics and Energy Efficiency for Zero Liquid Discharge
Wang, R. and Lin, S.
Exceptional Mineral Scaling Resistance from Surface Gas Layer: Impacts of Surface Wetting Properties and Gas Layer Charging Mechanism
Horseman, D., and Lin, S.
Which surface is more scaling resistant? A closer look at nucleation theories for heterogeneous gypsum nucleation in aqueous solutions.
Yin, Y., Li, T., Zuo, K., Liu, X., Lin, S., Yao, Y., and Tong, T.
Environmental Science & Technology, (2022)
Electrodialytic crystallization to enable zero liquid discharge
Xudong Zhang, Yiqun Yao, Thomas Horseman, Ruoyu Wang, Yiming Yin, Sizhuo Zhang, Tiezheng Tong & Shihong Lin
Which surface is more scaling resistant? A closer look at nucleation theories for heterogeneous gypsum nucleation in aqueous solutions.
Yin, Y., Li, T., Zuo, K., Liu, X., Lin, S., Yao, Y., and Tong, T.
Environmental Science & Technology, 56, 2022, 16315-16324
Project 5.07 Solvent-Driven Zero Liquid Discharge for Production of Synthetic Gypsum
Lead: Aaron Wilson, Idaho National Laboratory
Mass action model of solution activity via speciation by solvation and ion pairing equilibria
A.D. Wilson, H. Lee, C. Stetson
Commun Chem. 4 (2021) 163 (1–8).
Contribution of relative ion volume to individual ion hydration values within a speciation-based solution model, (n.d.)
Aaron D. Wilson, Hyeonseok Lee, Caleb Stetson
Local stress within a granular molecular solvent matrix, a mechanism for individual ion hydration, (n.d.)
Aaron D. Wilson, Hyeonseok Lee, Caleb Stetson
Solvent-Based Water Extraction & Fractional Precipitation at the Water-Energy Nexus, (n.d.)
Caleb Stetson, Hyeonseok Lee, Akshay Deshmukh, Zi Hao Foo, Eliza Dach, Akanksha Menon, Ravi Prasher, NgaiYin Yip, John H. Lienhard, Aaron D. Wilson
Project 5.08 Advanced Process Controls – Autonomous Control and Optimization
Lead: Kris Villez, Oak Ridge National Laboratory
Project 5.09 Process Twins for Decision-Support and Dynamic Energy/Cost Prediction in Water Reuse Processes
Lead: Diego Rosso, University of California at Irvine
Project 5.10 Analytics for Causal Analysis and Decision Support Models for Autonomous and Smart Water Treatment
Lead: Prakash Rao, Lawrence Berkeley National Laboratory
Project 5.11 Additive Manufacturing for Customized Membranes
Lead: Jeff McCutcheon, University of Connecticut
Fixing the desalination membrane pipeline Materials discovery alone has not translated into lower-cost water treatment
Jeffrey R. Mccutcheon and Meagan S. Mauter
Advancements in conventional and 3D printed feed spacers in membrane modules
Qian, X., Anvari, A., Hoek, E.M.V., McCutcheon, J.R
Desalination 556, 2023, 116518
Project 5.12 Electromagnetic Field for Membrane Scaling Control
Lead: Pei Xu, New Mexico State University
Project 5.13 Tailored Reductants for Selenium Removal in Iron Electrocoagulation
Lead: Dan Giammar, Washington University in St. Louis
Project 5.14 Enabling Minimal Liquid Discharge Through a Modular, Flexible, and Electrified Pretreatment System
Lead: David Jassby, University of California at Los Angeles
Project 5.15 Electrocoagulation/electrooxidation to accelerate cost-effective potable water reuse
Lead: Shankar Chellam, Texas A&M University
Project 5.16 Energy-efficient selective removal of metal ions from mining influenced waters (MIW) using H-bonded Organic-Inorganic Frameworks (HOIFs)
Lead: Nick Gurieff, Rio Tinto Services Inc.
Project 5.17 Data-Driven Fault Detection and Process Control for Potable Reuse with Reverse Osmosis
Lead: Andy Salveson, Carollo Engineers, Inc.
Project 5.18 Multifunctional Membrane for Oxyanion Removal
Lead: Baoxia Mi, University of California, Berkeley
Project 5.19 A Review of Modeling and Simulation Tools for Established and Emergent Water Treatment Technologies
Lead: Laura Schaefer, Rice University
Topic Area 2: Materials and Manufacturing
Project 6.02Machine Learning Platform for Catalyst Design
Lead: Anubhav Jain, LBNL
Machine learning prediction on the fractional free volume of polymer membranes
L Tao, J He, T Arbaugh, JR McCutcheon, Y Li
Journal of Membrane Science 665, 121131, 2023
Screening of bimetallic electrocatalysts for water purification with machine learning
R Tran, D Wang, R Kingsbury, Palizhati, K Aslaug Persson, A Jain, Ulissi, Z
doi.org/10.1063/5.0092948 157 (7), 2022
Microbial diversity analysis of two full-scale seawater desalination treatment trains provides insights into detrimental biofilm formation
M Podar, AL May, W Bai, K Peyton, DM Klingeman, CM Swift, DAF Linson, J Mathieu, D Siljeström, I Beneyto, L Stadler, Y Pinhas, A Löffler, M Kumar
Journal of Membrane Science Letters 1 (1), 100001, 2021
Project 6.04Development of HPRO Membrane Platform for the Desalination of High Salinity Waters
Lead: Jeffrey McCutcheon, UConn
Machine learning prediction on the fractional free volume of polymer membranes
L Tao, J He, T Arbaugh, JR McCutcheon, Y Li
Journal of Membrane Science 665, 121131, 2023
Effect of different manufacturing methods on polyamide reverse-osmosis membranes for desalination: Insights from molecular dynamics simulations
J He, JR McCutcheon, Y Li
Desalination 547, 116204, 2023
Closed-loop pressure retarded osmosis draw solutions and their regeneration processes: A review
AE Zadeh, K Touati, CN Mulligan, JR McCutcheon, MS Rahaman
Renewable and Sustainable Energy Reviews 159, 112191, 2022
A critical review and commentary on recent progress of additive manufacturing and its impact on membrane technology
X Qian, M Ostwal, A Asatekin, GM Geise, ZP Smith, WA Phillip, RP Lively, JR McCutcheon
Journal of Membrane Science 645, 120041, 2022
Machine learning enables interpretable discovery of innovative polymers for gas separation membranes
J Yang, L Tao, J He, JR McCutcheon, Y Li
Science Advances 8 (29), eabn9545, 2022
Unraveling the mysteries of the thin film composite reverse osmosis membrane
JR McCutcheon
Joule 5 (3), 528-530, 2021
Efficient separation of small organic contaminants in water using functionalized nanoporous graphene membranes: Insights from molecular dynamics simulations
J Yang, Z Shen, J He, Y Li
Journal of Membrane Science 630, 119331, 2021
Printing zwitterionic self-assembled thin film composite membranes: Tuning thickness leads to remarkable permeability for nanofiltration
Qian, X. Ravindran, T, Lounder, S.J., Asatekin, A., McCutcheon, J.R.
Journal of Membrane Science 635, 2021, 119428, 2021
Project 6.08Direct electrochemical reduction of selenium to achieve A-PRIME water treatment
Lead: Anubhav Jain, LBNL
Cost-Effective Cathode Materials To Electrochemically Tackle Aquatic Selenite Pollution
Z Yang, J Zhao, EG Sullivan, S Zou
ACS ES&T Engineering 3 (4), 458-466, 2023
Project 6.09Selective Separation of Selenium Oxyanions By Chelating Hydrogen-Bonding Ligands
Lead: Radu Custelcean, ORNL
Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands
JD Einkauf, NJ Williams, CA Seipp, R Custelcean
JACS Au 3 (3), 879-888, 2023
Project 6.11UHPRO Membrane and Module Design & Optimization Innovations to Enable & Optimize Ultra-High Pressure Reverse Osmosis Membranes
Lead: Eric Hoek, UCLA
Water transport in reverse osmosis membranes is governed by pore flow, not a solution-diffusion mechanism
L Wang, J He, M Heiranian, H Fan, L Song, Y Li, M Elimelech
Science Advances 9 (15), eadf8488, 2023
Molecular mechanisms of thickness-dependent water desalination in polyamide reverse-osmosis membranes
J He, T Arbaugh, D Nguyen, W Xian, EMV Hoek, JR McCutcheon, Y Li
Journal of Membrane Science 674, 121498, 2023
Project 6.12Electrochemical Advanced Oxidation
Lead: David Sedlak, UC Berkeley
Surface processes control the fate of reactive oxidants generated by electrochemical activation of hydrogen peroxide on stainless-steel electrodes
Y Duan, W Jiang, DL Sedlak
Environmental Science & Technology, 2023
Project 6.14Novel Bipolar Membrane Assisted Electrosorption Process for the Selective Removal of Boron
Lead: Menachem (Meny) Elimelech, Yale University
Electrosorption Integrated with Bipolar Membrane Water Dissociation: A Coupled Approach to Chemical-free Boron Removal
SK Patel, W Pan, YU Shin, J Kamcev, M Elimelech
Environmental Science & Technology 57 (11), 4578-4590, 2023
Topic Area 3: Data Modeling and Analysis
Project 3.02 Development, Deployment, and Refinement of the Water Technology Data and Analysis Management Platform (Water-DAMS)
Lead: Jon Weers, National Renewable Energy Laboratory
Project 3.03Develop the Water Technology Techno-Economic Assessment Pipe Parity Platform
Lead: Ariel Miara, National Renewable Energy Laboratory
Carbon Benefits of Drinking Water Treatment Electrification
Daniel B. Gingerich, Jiachen Liu, and Meagan S. Mauter
Project 3.04Roadmap to R&D Cycle: Technology Baselines, NAWI Performance Tracking, and Technology Roadmapping
Lead: Parthiv Kurup, National Renewable Energy Laboratory
Cost and Energy Intensity of U.S. Potable Water Reuse Systems
Sim, A.Y. and Mauter M.S.
Environmental Science: Water Research & Technology, 2021,
Opportunities and Challenges for Industrial Water Treatment and Reuse
Meese, Aidan Francis, et al.
ACS ES&T Engineering. 2021
Opportunities for Treatment and Reuse of Agricultural Drainage in the United States
Hejase, Charifa A, et al.
ACS ES&T Engineering. 2021
Cost and Energy Metrics for Municipal Water Reuse
Giammar, Daniel E., et al.
ACS ES&T Engineering. 2021
Pipe Parity Analysis of Seawater Desalination in the United States: Exploring Costs, Energy, and Reliability via Case Studies and Scenarios of Emerging Technology.
Quon, Hunter, et al.
ACS ES&T Engineering. 2021
Zero Liquid Discharge and Water Reuse in Recirculating Cooling Towers at Power Facilities: Review and Case Study Analysis
Sophia L. Plata, Connie L. Devenport, Ariel Miara, Kurban A. Sitterley, Anna Evans, Michael Talmadge, Kurt M. Van Allsburg, Parthiv Kurup, Jordan Cox, Samuel Kerber, Andrew Howell, Richard Breckenridge, Cheyenna Manygoats, Jennifer R. Stokes-Draut, Jordan Macknick, and Amy E. Childress
Analysis of Brackish Water Desalination for Municipal Uses: Case Studies on Challenges and Opportunities
Xuesong Xu, J. Erik Ness, Ariel Miara, Kurban A. Sitterley, Michael Talmadge, Barbara O’Neill, Katie Coughlin, Sertac Akar, E. M. N. Thiloka Edirisooriya, Parthiv Kurup, Nalini Rao, Jordan Macknick, Jennifer R. Stokes-Draut, and Pei Xu
Oil and Gas Produced Water Reuse: Opportunities, Treatment Needs, and Challenges
Cooper, Carolyn M., et al.
ACS ES&T Engineering. 2021
Project 3.05Integrated Data and Analysis Research Projects
Lead: Jordan Macknick, NREL
Project 3.06NAWI Water Treatment Model Development
Lead: Timothy Bartholomew, National Energy Technology Laboratory
Project 3.07NAWI Analysis
Lead: Alex Dudchenko, Stanford Linear Accelerator C
Project 3.08Next-Generation Desalination for for Treatment of Agricultural Drainage Wastewater
Lead: David Sedlak, University of California at Berkeley
The evolution of symbiotic innovation, water, and agricultural supply chains
David Zilberman, Alice Huang, Lanie Goldberg, and Thomas Reardon
Applied Economic Perspectives & Policy.
Project 3.09Assessing the Impact of APRIME on Industrial Sector Supply Portfolios: Chemical Industry and Data Center/Large Campus Case Studies
Lead: TBC, The University of Texas at Austin
Project 3.10Robust Technology and Policy Pathways for Municipal Water Security
Lead: Meagan Mauter, Stanford
Project 3.11Demonstration and Validation of Low Salt Rejection RO (LSSRO) for High Recovery Desalination of Saline Water
Lead: Tzahi Cath, CSM
Project 4.02ProteusLib – Integrated Computational Capability for Optimizing Advanced Water Treatment Systems
Lead: David Miller, National Energy Technology Laboratory
Cost optimization of multistage gap membrane distillation
Dudchenko, A.V.; Bartholomew, T.V.; Mauter, M.S.;
Accepted by the Journal of Membrane Science on February 25, 2021
High Impact Innovations for High Salinity Membrane Desalination
Dudchenko, A.V.; Bartholomew, T.V.; Mauter, M.S
Proceedings of the National Academies of Science, 2021
Cost optimization of low salt rejection reverse osmosis.
Atia, A.; Young, E.; Knueven, B.; Allen, J.; Bartholomew, T.
Desalination. 2023, 551, 116407
Project 4.03High-Fidelity Modeling
Lead: Ramanan Sankaran, Oak Ridge National Laboratory
Dynamic Modeling of Fouling in Reverse Osmosis Membranes
B. Ling, P. Xie, D. Ladner and I. Battiato
Membranes, Accepted with minor revisions (2021) Project-related presentations (outside home institution)
3D flow and Dean vortices in Membrane Distillation systems
A. Wang, B. Ling, A. Dudchenko, I. Battiato et al. Final authors list TBD
To be submitted to J. Fluid Mech., in preparation, 2021. Publications in press/print (articles, papers, or presentations authored/prepared by the Project Team and published or distributed)
Mass transfer correlations for large scale membrane-spacer configurations
H. Sitaraman, I. Battiato. R. Sankaran, V. Ramanuj, M.S. Day
Macrovoid resolved simulations of flow through HPRO relevant membrane geometries before and after compaction
V. Ramanuj, L. Malenica, R. Sankaran, M.S. Day, J. McCutcheon, S. Shahbazmohamadi
Mass transfer correlations for large scale membrane-spacer configurations
H. Sitaraman, I. Battiato
Impact of large scale effects on mass transfer and concentration polarization in Reverse Osmosis membrane systems
H. Sitaramana, I. Battiato
Submitted to J. Membrane Sci., Submission code: MEMSCI-D-22-00262 (2022)
Understanding Flow Dynamics in Membrane Distillation: Effects of Reactor Design on Polarization
Yao, Yu and Battiato
Accepted, Separation and Purification Technology, 123664, 2023