Integrating Framework (IF) for GAPS A, B, C

The Integrating Framework provides the foundation that connects GAPs 

M-WET interrogates fundamental processes essential for purification of fit-for-purpose water from alternative water sources via a highly interdisciplinary research coalition. The Integrating Framework (IF) will create the materials (UMCP) libraries and state-of-the-art characterization and data science tools to enable and harmonize the discoveries across the Center. A key activity of the IF is the synthesis, scale-up, and documentation of the Universal Membrane Chemistry Platform (UMCP) (Fig. 1.2, above) in Project 1 to form an expansive materials library for the GAPs. Using materials from this library, the GAPs will create new molecular scale understanding of the structure and dynamics of water and solutes near membrane interfaces, design rules to control selectivity, and strategies for membrane formation. These fundamental discoveries will in turn allow the IF to evolve the UMCP to include more robust, scalable polymer chemistries, membrane formation strategies, and significant improvements in macroscopic membrane performance. The IF will also develop characterization tools with high-throughput (Project 2) as well as in situ and operando (Projects 3 and 4) capabilities to guide synthesis, simulation, and theory within the GAPs. Finally, a membrane characterization team led by Lab Manager Gleason will be responsible for physical and chemical characterization of membrane properties including solute and water solubility, diffusivity, permeability, ionic conductivity, dielectric properties, and mechanical properties of nonporous membranes. The team will also study flux, rejection, fouling, pore size, pore size distribution, surface energy, and mechanical properties of porous membranes. Vibrational spectroscopy, X-ray scattering, and electron microscopy will also be employed to characterize virgin and fouled membranes. These bridging toolsets connect fundamental molecular-level membrane interactions and assemblies developed in the GAPs to system-level membrane separation and fouling-resistant performance and energy efficiency through tools that span many length and time scales. Moreover, the multiscale suite of synchrotron X-ray tools is central to the IF’s ability to translate and connect discoveries at the molecular level across GAPs and address separations across the MFP (Fig. 1.3). The IF and M-WET team will develop and have access to unique characterization tools across length scales (Fig. 5.1, (below) through multiple user facility proposals. This includes an ongoing Approved Program and general user proposals at the ALS, a general user proposal at the National Synchrotron Light Source II (NSLS-II), and a user project at the Molecular Foundry to directly simulate X-ray spectroscopy. Finally, in collaboration with ALS, we are developing a shared M-WET Data Portal to house raw data (synchrotron and non-synchrotron) and searchable metadata to facilitate access to results across M-WET (McReynolds). This database is described in more detail in the Data Management Plan.

Fig. 5.1. The IF will support and connect research activities across all GAPs within M-WET, curating our UMCP library, MFP, and Database activities. The IF will also develope new tools both at Advanced Light Source at Lawrence Berkeley National Laboratory and via high-throughput characterization tool development at the University of California Santa Barbara and The University of Texas at Austin.