Membranes: High performance chemically, mechanically, and thermally stable membrane materials

1. Membranes:High performance chemically, mechanically, and thermally stable membrane materials Scientific challenges Summary of research direction • Define promising candidate materials • Transform promising candidate materials through an array of methodologies (e.g., thermal, UV, microwaves, etc.) to impart stability and high performance • Define stability limits using advanced analytical techniques Materials that have attractive transport properties and are robust are difficult to process into desirable 3-dimensional structures Potential scientific impact Potential impact on Carbon Capture • Create new paradigms for rapid transformation of materials over multiple length scales • Provide the capability to probe nanoscale environments using advanced spectroscopy, imaging, PALS, scattering, etc. • Enable CO2 capture across the full range of possible environments (post-, pre-, and oxy-combustion) and target separations (CO2/N2, H2/CO2, O2/N2) • Develop game changing membrane materials for 2020 and beyond

2. Membranes:Stimuli-Responsive Materials for CO2 Separation Scientific challenges Summary of research direction Investigation of new separation functionality triggers Understanding of materials energetics, kinetics Intermittent and/or continuous stimuli Interfacial accessibility by stimuli and CO2 Modeling, theory, and characterization of dynamics/chemistry at atomic level • Novel fundamental CO2 transport and separation using driving forces other than chemical potential (i.e., partial pressure): • Electrical • Sonic, Electromagnetic • Thermal/Phase change, pH Potential scientific impact Potential impact on Carbon Capture Development of more energy-efficient processes Novel responsive materials w/ new engineering design/applications (storage, biomedical, structural) New material designs/microstructures New theories and equipment for molecular and material dynamics Rapid adoption of cost-effective separation membranes and processes w/ lower parasitic energy penalties Ability to implement for mobile as well as stationary point sources Ability to capture CO2 from air

3. Membranes:Integrated selective catalysis and mass transport Scientific challenges Summary of research direction • Integration of functionalized molecules • Materials with liquid-like and selective transport at moderate temperatures • Nanoscale surface modification of membranes for catalysis and selectivity • Surface characterization at process-relevant pressure Attaining selective transport and chemical conversion simultaneously through tailoring of both bulk and surface properties of membranes Potential scientific impact Potential impact on Carbon Capture • Discovery of synergies between bulk and surface properties • Tailored gas-surface interactions • Discovery of synergies between component materials • Unprecedented transport properties • CCS system simplification through targeted conversion (e.g. methane to electricity and sequestration-ready CO2) • Tailored products from fossil fuel via catalytic conversion and selective transport • Cost effective, high quality separations

4. Membranes:Advanced 3D Membrane Architectures Scientific challenges Summary of research direction • Control and Manipulation of Non-equilibrium Architectures • Gradient Structures and Transport Fields • Bio-inspired Models • Facilitated Transport Mechanisms • MultiscaleIntegration (Free volume, specific chemical interactions, pore structure, etc.) • Structure generation via self assembly, molecular design, top-down patterning • To craft hierarchical functional membranes that are deterministically articulated in 3D. • To establish forms of materials integration that enable new possibilities for selective, high throughput membrane separations within compact form factors. Potential scientific impact Potential impact on Carbon Capture • New methods to control transport in materials by design. • Unprecedented new competencies that innately join synthesis, fabrication and assembly to achieve function. • Membranes with High Flux(e.g., CO2, O2) • Robust, Application Tolerant Membranes • Low Energy Separations • Reduced Membrane Footprint

5. Membranes:Predictive modeling for rational materials design Scientific challenges Summary of research direction • Fundamental issue: permeability/ selectivity trade-off. Performance beyond Robeson’s “upper bound” are needed to reduce separation costs • Current materials design approach is largely empirical; existing models cannot predict, only explain properties • Expanded synthetic capabilities have markedly increased membrane design space • Develop multi-scale computational tools • Exploration of new predictive algorithms • Model Validation Potential scientific impact Potential impact on Carbon Capture Computational design of new membranes will enable prediction of: Rapid screening of relationships between structure and performance Effects of aging and contaminants A-priori quantification and optimization of transport behavior Integrating with existing computational tools will allow: Rapid assessment of new materials concepts Optimization of membrane architecture prior to experimentation New concept screening directly linked to LCOE

6. Membranes:Physics and Chemistry of Transport and Stability in Ultra-Thin Membranes Scientific challenges Summary of research direction • Fabrication and characterization of ultrathin dense and asymmetric films of important membrane materials • Development of characterization techniques for ultra-thin films • Impact of penetrants on physical and mechanical properties of membranes • Development of stabilized thin films • Understanding and characterization of the physical properties (e.g. mechanical, transport, selectivity, aging) in ultra-thin (<100nm) films. • Understanding properties of ultrathin composite films. • Mechanical stabilization of the ultrathin membranes (e.g. supporting structures). Potential scientific impact Potential impact on Carbon Capture • Elucidate the fundamental physics of ultra-thin films • Define the ‘effective’ limit of membrane thickness on performance and performance stability • Provide guidance for design of ultra-thin films (e.g., membranes, coatings, resists) • Development of stable, highly permeable, ultra-thin membranes for large volume gas separations • Realize improved membrane reliability and enhance service life

7. Membranes:Design of novel membranes that transport ions or molecules Scientific challenges Summary of research direction • Combinatorial chemistry and high throughput screening of materials • Development of ion transporting membranes (e.g., carbonate) • Development of advanced facilitated transport membranes • Understanding of chemical and physical mechanisms that affect membrane stability and transport properties. • Develop membranes with high specificity for target molecules using ion conducting or facilitated transport materials • Design, synthesize, and demonstrate membrane materials with improved stability Potential scientific impact Potential impact on Carbon Capture • Discovery of new membrane materials • Improved understanding of transport mechanism and material properties for membranes. • New chemistry and materials with impact in other fields such as fuel cells and sensors. • High performance separation/reaction processes for CO2 capture. • Improved process efficiency