2013
DOI: 10.1039/c3cp53627k
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Cost-effective CO2 capture based on in silico screening of zeolites and process optimization

Abstract: A hierarchical computational approach is introduced that combines materials screening with process optimization. This approach leads to novel materials for cost-effective CO2 capture. Zeolites are screened using shape, size, and adsorption selectivities. Next, process optimization is introduced to generate a rank-ordered list based on total cost of capture and compression. We not only select the most cost-effective materials, but we also attain the optimal process conditions while satisfying purity, recovery, … Show more

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Cited by 122 publications
(140 citation statements)
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References 48 publications
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“…The performance metrics chosen in this work are not tied to any specific process, but aim to identify optimal materials that will likely perform well in a range of processes. The best operation modes and process conditions may be different for each material and feedstock composition, and the ranking may vary once a particular process is selected 28,29 . In addition, practical considerations will sometimes dictate the suitability of a process.…”
Section: Discussionmentioning
confidence: 99%
“…The performance metrics chosen in this work are not tied to any specific process, but aim to identify optimal materials that will likely perform well in a range of processes. The best operation modes and process conditions may be different for each material and feedstock composition, and the ranking may vary once a particular process is selected 28,29 . In addition, practical considerations will sometimes dictate the suitability of a process.…”
Section: Discussionmentioning
confidence: 99%
“…Several nanoporous materials demonstrated a high CO 2 /N 2 selectivity, a good CO 2 uptake as well as a less energy demanding regeneration than the amine solutions. 8,9 Advantageous materials can be found among zeolites, 10,11 cation-exchanged zeolites (CEZ), 12,13 metal-organic frameworks Fig. 1 Layout of a fossil fuel-fired power plant.…”
Section: Introductionmentioning
confidence: 99%
“…Recent results (Hasan et al, 2013;First et al, 2014) also suggest that we must select the best materials and optimize processes in tandem for effective CO 2 separation. We need to design the CCUS network supply chain such that the sources are optimally connected with the utilization and sequestration sites .…”
Section: Introductionmentioning
confidence: 95%
“…Hasan et al (2012a,b) optimized the capture and compression costs for leading capture technologies, namely absorption, membrane, and adsorption (PSA and VSA) for a range of stationary sources, and showed that no single technology is the best for all CO 2 compositions and flow rates. Even when the technology remains the same, the capture cost can significantly vary depending on the materials selected for CO 2 capture (Hasan et al, 2013).…”
Section: Introductionmentioning
confidence: 99%