The Experts below are selected from a list of 67404 Experts worldwide ranked by ideXlab platform
Taner Yildirim - One of the best experts on this subject based on the ideXlab platform.
-
Carbon Capture in metal organic frameworks a comparative study
Energy and Environmental Science, 2011Co-Authors: Jason M. Simmons, Taner Yildirim, Wei ZhouAbstract:Metal–organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g−1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.
-
Carbon Capture in metal–organic frameworks—a comparative study
Energy & Environmental Science, 2011Co-Authors: Jason M. Simmons, Hui Wu, Wei Zhou, Taner YildirimAbstract:Metal-organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g-1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.
Berend Smit - One of the best experts on this subject based on the ideXlab platform.
-
In Silico Discovery of Covalent Organic Frameworks for Carbon Capture.
ACS Applied Materials & Interfaces, 2020Co-Authors: Kathryn S. Deeg, Johanna M. Huck, Daiane Damasceno Borges, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V. Yakutovich, Berend SmitAbstract:We screen a database of more than 69,000 hypothetical covalent organic frameworks (COFs) for Carbon Capture, using parasitic energy as a metric. In order to compute CO2-framework interactions in molecular simulations, we develop a genetic algorithm to tune the charge equilibration method and derive accurate framework partial charges. Nearly 400 COFs are identified with parasitic energy lower than that of an amine scrubbing process using monoethanolamine; over 70 are better performers than the best experimental COFs; and several perform similarly to Mg-MOF-74. We analyze the effect of pore topology on Carbon Capture performance in order to guide development of improved Carbon Capture materials.
-
In Silico Discovery of Covalent Organic Frameworks for Carbon Capture
2020Co-Authors: Kathryn S. Deeg, Johanna M. Huck, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V. Yakutovich, Daiane Damasceno Borges, Berend SmitAbstract:We screen a database of more than 69,000 hypothetical covalent organic frameworks (COFs) for Carbon Capture, using parasitic energy as a metric. In order to compute CO2-framework interactions in molecular simulations, we develop a genetic algorithm to tune the charge equilibration method and derive accurate framework partial charges. Nearly 400 COFs are identified with parasitic energy lower than that of an amine scrubbing process using monoethanolamine. Furthermore, we identify over 70 top performers that, based on the same metrics of evaluation, perform comparably to Mg-MOF-74 and outperform reported experimental COFs for this application. We analyze the effect of pore topology on Carbon Capture performance in order to guide development of improved Carbon Capture materials.
-
Carbon Capture and Storage: introductory lecture
Faraday Discuss., 2016Co-Authors: Berend SmitAbstract:Carbon Capture and Storage (CCS) is the only available technology that allows us to significantly reduce our CO 2 emissions while keeping up with the ever-increasing global energy demand. Research in CCS focuses on reducing the costs of Carbon Capture and increasing our knowledge of geological storage to ensure the safe and permanent storage of CO 2 . This brief review will discuss progress in different Capture and storage technologies.
-
Cutting the cost of Carbon Capture: a case for Carbon Capture and utilization.
Faraday Discuss., 2016Co-Authors: Lennart Joos, Johanna M. Huck, Veronique Van Speybroeck, Berend SmitAbstract:A significant part of the cost for Carbon Capture and storage (CCS) is related to the compression of Captured CO2 to its supercritical state, at 150 bar and typically 99% purity. These stringent conditions may however not always be necessary for specific cases of Carbon Capture and utilization (CCU). In this manuscript, we investigate how much the parasitic energy of an adsorbent-based Carbon Capture process may be lowered by utilizing CO2 at 1 bar and adapting the final purity requirement for CO2 from 99% to 70% or 50%. We compare different CO2 sources: the flue gases of coal-fired or natural gas-fired power plants and ambient air. We evaluate the Carbon Capture performance of over 60 nanoporous materials and determine the influence of the initial and final CO2 purity on the parasitic energy of the Carbon Capture process. Moreover, we demonstrate the underlying principles of the parasitic energy minimization in more detail using the commercially available NaX zeolite. Finally, the calculated utilization cost of CO2 is compared with the reported prices for CO2 and published costs for CCS.
Archana Venugopal - One of the best experts on this subject based on the ideXlab platform.
-
Process and engineering trends in membrane based Carbon Capture
Renewable and Sustainable Energy Reviews, 2017Co-Authors: I. Sreedhar, R. Vaidhiswaran, Bansi M. Kamani, Archana VenugopalAbstract:Global warming due to greenhouse gases mostly Carbon dioxide has become a serious concern worldwide. Carbon Capture using adsorption, absorption, chemical looping combustion, cryogenic and membrane separations has been widely studied to tackle this problem. Significant research efforts have been made in membrane based Carbon Capture employable in both pre- and post-combustion options as it is a simple, efficient economical and environmentally benign option. In this paper, a comprehensive review has been done on this technology with reference to various aspects viz., synthesis, characterization and performance analysis of various membrane materials, contactors and their design aspects, modeling and simulation studies and membrane wetting phenomenon. The prospects and future challenges of the membrane based Carbon Capture are also highlighted.
Wei Zhou - One of the best experts on this subject based on the ideXlab platform.
-
Carbon Capture in metal organic frameworks a comparative study
Energy and Environmental Science, 2011Co-Authors: Jason M. Simmons, Taner Yildirim, Wei ZhouAbstract:Metal–organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g−1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.
-
Carbon Capture in metal–organic frameworks—a comparative study
Energy & Environmental Science, 2011Co-Authors: Jason M. Simmons, Hui Wu, Wei Zhou, Taner YildirimAbstract:Metal-organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g-1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.
Jason M. Simmons - One of the best experts on this subject based on the ideXlab platform.
-
Carbon Capture in metal organic frameworks a comparative study
Energy and Environmental Science, 2011Co-Authors: Jason M. Simmons, Taner Yildirim, Wei ZhouAbstract:Metal–organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g−1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.
-
Carbon Capture in metal–organic frameworks—a comparative study
Energy & Environmental Science, 2011Co-Authors: Jason M. Simmons, Hui Wu, Wei Zhou, Taner YildirimAbstract:Metal-organic frameworks (MOFs) have been shown to be excellent materials for storage of Carbon dioxide, implying that they could be useful for removal of Carbon dioxide from flue gas stacks, however their performance in industrially relevant swing adsorption processes for Carbon Capture has not been studied. Here we show that the efficacy of MOFs for Carbon Capture depends dramatically on the process and that some MOFs can provide significant Carbon Capture under typical pressure and vacuum swing processes. In particular, MOFs that possess coordinatively unsaturated metal centers offer as much as 9 mmol g-1 swing capacity under certain conditions. The results herein clearly show that there is no single ideal compound for Carbon Capture applications and that different materials can perform better or worse depending on the specific process conditions. In addition to their Capture performances, we have also investigated their selectivity to Carbon dioxide over that of nitrogen and methane. The analysis provided clearly demonstrates that the performance of a given MOF cannot be determined without also considering the detailed industrial process in which the MOF is to be applied.