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DOE OSTI · 3000247

Progress in development of characterization capabilities to evaluate candidate materials for direct air capture applications

Abstract

As part of U.S. national efforts to combat the detrimental effect of global climate change, the National Institute of Standards and Technology (NIST) was recently tasked to support efforts in direct air capture (DAC) of carbon dioxide research and deployment. In order to develop test procedures, materials, and documentary standards, key characterization methods relevant to DAC materials have been investigated and used to identify desirable properties for a potential Standard Reference Material (SRM). Select amine-supported materials that previously showed potential for DAC applications have been characterized using commonly available laboratory methods. Further insights into the adsorption characteristics have been gained from developing and applying more specialized characterization tools ideal for probing low concentrations of carbon dioxide. A broad suite of capabilities that examine relevant properties under appropriate conditions gives the most profound insights into a material's specific performance. We advocate for even more specialized capabilities to be developed and standardized to quantitatively monitor the interactions of CO 2 with molecular species in complex and often disordered systems to advance DAC and support carbon dioxide reduction (CDR) in general.

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BibTeXRIS

Carter, Marcus, Nguyen, Huong Giang T., Allen, Andrew J., Yi, Feng, Yang, Wei-Chang D., Baumann, Avery E., McGivern, W. Sean, Manion, Jeffrey A., Kuzmenko, Ivan, Tsinas, Zois, Wentz, Charlotte M., Wenny, Malia, Siderius, Daniel W., van Zee, Roger D., Stafford, Christopher M., Brown, Craig M.. 2024-11-09. Progress in development of characterization capabilities to evaluate candidate materials for direct air capture applications. https://doi.org/10.1016/j.jcou.2024.102975

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Time Course of Effects of Carbon Dioxide Exposure on Physical and Cognitive Performance in a Simulated Surface Extravehicular Activity Contingency Scenario

INTRODUCTION Carbon dioxide (CO 2 ) is a metabolic byproduct produced by humans that must be scrubbed from the atmosphere by environmental control and life support systems in space vehicles and spacesuits to prevent buildup. Current nominal CO 2 limits are set by NASA Standard 3001, however, limits during contingency situations are not specified. The purpose of this study was to characterize and quantify the physiological, cognitive, and self-assessed symptom and performance metrics as a function of inspired CO 2 (P I CO 2 ) during a simulated 1-hour contingency lunar EVA scenario in virtual reality (VR). METHODS Fifteen healthy subjects completed 7 simulated EVA scenarios walking on a passive treadmill for one hour breathing dry, ambient air mixed with added CO 2 in a blind, counterbalanced manner (P I CO 2 : 0, 5, 10, 15, 20, 25, 30 mmHg) simulating a 2.0 km contingency EVA walkback to a habitat on the lunar surface in the event of a CO 2 scrubber malfunction. Subjects were immersed in a Lunar VR environment and asked to maintain their walking speed between 2.1 km/h and an upper limit individually calibrated to a fixed metabolic workload of 1.3 L/min of O 2 consumption, and performed periodic cognitive tasks and continuous cardiopulmonary measurements. Self-assessments of symptoms and task performance were measured via verbal Likert-scale survey at the onset of the walkback and at 10-minute intervals thereafter. RESULTS The time course of cardiopulmonary, cognitive, and self-reported responses at each level of P I CO 2 will be presented. All 15 subjects were able to complete the 1-hr walk back task at all CO 2 levels. Physiological responses were rapid, typically within 1 to 5 minutes. No effects of time were detected for cognitive measures. Symptomatic ratings of headache, shortness of breath, and fatigue demonstrated a time-course development, reaching asymptote after 40 minutes of CO 2 exposure. DISCUSSION These findings will inform the posture of risk associated with CO 2 exposure on human health and performance during microgravity and planetary surface operations, This will help inform decisions related to space suit and environmental life support hardware requirements and EVA operational limits for contingency extravehicular activity (EVA) scenarios.

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Influence of Real Gas Effects on Chemical Kinetics in Oxycombustion in Supercritical Carbon Dioxide

Oxycombustion in supercritical carbon dioxide is an integral part of the Allam Cycle, a technology that enables carbon-neutral use of fossil-fuels and carbon-negative use of biofuels. We simulate oxycombustion in a realistic combustor geometry for two sets of fuel conditions: pure methane, and a 40 percent methane/60 percent carbon dioxide blend, both at 343.15 K. The fuel jet mixes with a preheated swirler of 20 percent oxygen and 80 percent carbon dioxide at 1005.35 K, with a 100 percent carbon dioxide coflow at 783.15 K. The entire system operates at a pressure of 300 bar, putting the entire system above the critical temperature and pressure of carbon dioxide. Simulations are performed using PeleC, a compressible block-structured adaptive-mesh refinement (AMR) reacting flow code. Direct comparison of results using thermodynamically self-consistent implementations of the ideal gas equation of state and the Soave-Redlich-Kwong (SRK) equation of state allow quantification of the real gas impacts on combustion kinetics, flow temperatures, and pollutant formation.

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Carbon dioxide electroreduction (ECO2R) is gaining attention due to its capacity to mitigate CO2 emissions while using electricity that would otherwise be curtailed. Its foreseeable industrial implementation requires of holistic methods to assess the technological and economic performance of ECO2R processes and integrate them in current chemical supply chains and power systems. Here, we combine techno-economic assessment and mathematical programming to find the optimal paths to electroreduce CO2 into valuable chemicals under variable electricity prices. The proposed approach is tested with a case study addressing the CO2 capture from flue gas or direct air and its electricity-powered reduction into carbon monoxide, formic acid or multi-carbon compounds. The results obtained demonstrate the ability of the framework to build ECO2R networks and provide operation profiles that respond to fluctuating electricity prices.

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