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likely be structured in three dimensions at the nanoscale. These nanostructures will require highly sensitive characterization techniques with unprecedented high spatial resolution. A particular challenge is to combine structural and dynamic techniques with simultaneous measurement of mechanical and other properties. For example one approach to determining mechanical and transport properties is indirectly from interaction-potential sensitive techniques (IR, Raman, NMR), which are less invasive than, for example, direct mechanical measurements. Measuring transport through innovative nanoscale geometries that are envisaged for tomorrow’s membranes and adsorbents is a particular challenge for which no suitable technique exists today. Carbon capture science shares with all the basic energy sciences the need to develop revolutionary new tools for characterization of structure and properties down to the atomic level. The grand challenge is to know more and more about less and less material, avoiding as much as possible the ensemble averaging of the past. Achieving an Atomic-scale View of Gas–host Structures and Kinetics To design better molecular “traps”—in adsorbant and absorbent systems—and more selective separation membranes, a greater atomic-level understanding is needed of gas–host interactions for adsorption sites and of kinetics (diffusion, reaction) and dynamics (vibrations, rotation, libration, translation) of molecules in complex media (liquids, solids) (see the sidebar “An Example of CO2 Reaction Kinetics”). Experimental measurements of these critical phenomena are needed to validate and improve simulation and theory. Design of materials at the nanoscale offers the promise of tailored properties optimized for greater separation efficiency but will require guidance to reach desired configurations. New characterization tools will provide key insights that will aid the design of a new generation of functional materials for gas adsorption and separation. The fruit of these studies is also critically important for advances in other energy technologies, including fuel cells, capacitors, batteries, catalysis, and high-surface-area materials. Specifically, there is a need to develop methods to deal with gas molecules in confined environments in order to study the molecular specificity and mechanism of gas loading, both CO2 and O2, in materials to develop new separation schemes for CO2 reduction. These challenges become even greater when dealing with complex separation media, where both the location and dynamics of guest molecules in highly functionalized, 3D environments must be examined. Techniques such as elastic and inelastic neutron scattering and x-ray scattering, magnetic resonance, electron microscopies, and IR spectroscopy can yield this type of information; but they must be adapted to these systems. We aim to characterize gas organization, kinetics, and dynamics around adsorption sites in order to understand the chemical structure and molecular forces that aid in CO2 and O2 loading and ultimately in the design of improved separation materials. New characterization methods are needed to distinguish gas from host dynamics and distinguish, for example, bound CO2 from gaseous CO2. The grand challenge is to examine individual guest molecules, or at least ensure a full understanding of the nature of inhomogeneities in an ensemble. The grand challenge may be addressed by next-generation techniques with much higher sensitivity. Today individual guest molecules may be observed on surfaces in special cases by probe microscopy techniques. A major limitation of this approach is that the probe could be damaged by or interact with a loosely bound molecule. 95PDF Image | 2020 Carbon Capture
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