Exploring new sources of efficiency in process-driven materials screening for post-combustion carbon capture

Farmahini, Amir Hajiahmadi; Friedrich, Daniel; Brandani, Stefano; Sarkisov, Lev

doi:10.1039/c9ee03977e

Cited by 49 publications

(80 citation statements)

References 80 publications

(148 reference statements)

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“…In order to identify the operating conditions corresponding to the minimum specific energy and maximum productivity, the 6-step VSA cycle was optimized rigorously using genetic algorithm. Genetic algorithm for VSA optimization is widely studied in literature [35,46,51,52] and we have used the inbuilt multi objective optimization function in Matlab, gamultiobj, which is based on the non-dominated sorting genetic algorithm (NSGA-II) of Deb et al [53].…”

Section: Process Simulation and Optimizationmentioning

confidence: 99%

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Krishnamurthy

Boon

Grande

et al. 2021

Chemie Ingenieur Technik

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The aim of this work was to evaluate the performance of three different supported amine sorbents in a 6-step vacuum swing adsorption (VSA) cycle through process simulation and optimization for a representative post-combustion CO 2 capture system. Detailed process optimization revealed that all the adsorbents were able to achieve the desired purityrecovery targets. The best performing adsorbent in terms of productivity was Lewatit with a productivity of 0.48 mol m -3 ads s -1 . All the adsorbents exhibited similar minimum specific energy value of around 1 MJ kg -1 on an electric basis.

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Section: Process Simulation and Optimizationmentioning

confidence: 99%

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Krishnamurthy

Boon

Grande

et al. 2021

Chemie Ingenieur Technik

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“…Although the two differ in just one step, they are known to show measurably different performances 23,24 . While it is certainly possible to construct more complex cycles, we limit ourselves to these two cycles, as they have been used by several research groups as a benchmark 6,8,17,27 , and they have been demonstrated in lab-scale 24 and pilot-scale experiments 22 .…”

Section: Methodsmentioning

confidence: 99%

Practically Achievable Process Performance Limits for Pressure-Vacuum Swing Adsorption-Based Postcombustion CO₂ Capture

Pai

Prasad

Rajendran

2021

ACS Sustainable Chem. Eng.

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Practically achievable limits for pressure-vacuum swing adsorption (PVSA)-based post-combustion carbon capture are evaluated. The adsorption isotherms of CO2 and N2 are described by competitive Langmuir isotherms. Two low-energy process cycles are considered and a machine learning surrogate-model is trained with inputs from an experimentally-validated detailed PVSA model. Several case studies are considered to evaluate two critical performance indicators, namely, minimum energy and maximum productivity. For each case study, the genetic algorithm optimizer that is coupled to the machine learning surrogate model, searches tens of thousands of combinations of isotherms and process operating conditions. The framework pairs the optimum material properties with the optimum operating conditions, hence providing the limits of achievable performance. The results indicate that very low pressures ( <~0.2 bar) may be required to achieve process constraints for low feeds with low feed compositions ($<0.15$ mol fraction), indicating that PVSA may not be favourable. At higher CO2 feed compositions, PVSA can be attractive and can be operated at practically achievable vacuum levels. Further, the gap between the energy consumption of available adsorbents and the achievable limits with a hypothetical -best adsorbent varies between 20% to 2.5% as the CO2 feed composition changes between 0.05 to 0.4. This indicates a limited potential for development of new adsorbents of PVSA-based CO2 capture. Future work for PVSA should focus on flue gas streams with high CO2 compositions File list (3) download file view on ChemRxiv PVSAPerformanceLimits.pdf (2.73 MiB) download file view on ChemRxiv PVSAPerformanceLimitsSI.pdf (4.92 MiB) download file view on ChemRxiv PVSAPerformanceLimitsSIExcel.xlsx (257.93 KiB)

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“…Furthermore, computational screening modelling strategies are a powerful tool for finding optimum performing materials among thousands of adsorbents, such as MOFs materials. Regarding the vacuum swing adsorption, there is a common relationship between pellet porosity and pellet size for all materials at the optimal adsorbent performance (Farmahini et al 2020). Furthermore, computational simulations could be used for designing new photo-reactive MOFs materials with high adsorption and desorption capacities.…”

Section: Post-combustionmentioning

confidence: 99%

Recent advances in carbon capture storage and utilisation technologies: a review

et al. 2020

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Human activities have led to a massive increase in $$\hbox {CO}_{2}$$ CO 2 emissions as a primary greenhouse gas that is contributing to climate change with higher than $$1\,^{\circ }\hbox {C}$$ 1 ∘ C global warming than that of the pre-industrial level. We evaluate the three major technologies that are utilised for carbon capture: pre-combustion, post-combustion and oxyfuel combustion. We review the advances in carbon capture, storage and utilisation. We compare carbon uptake technologies with techniques of carbon dioxide separation. Monoethanolamine is the most common carbon sorbent; yet it requires a high regeneration energy of 3.5 GJ per tonne of $$\hbox {CO}_{2}$$ CO 2 . Alternatively, recent advances in sorbent technology reveal novel solvents such as a modulated amine blend with lower regeneration energy of 2.17 GJ per tonne of $$\hbox {CO}_{2}$$ CO 2 . Graphene-type materials show $$\hbox {CO}_{2}$$ CO 2 adsorption capacity of 0.07 mol/g, which is 10 times higher than that of specific types of activated carbon, zeolites and metal–organic frameworks. $$\hbox {CO}_{2}$$ CO 2 geosequestration provides an efficient and long-term strategy for storing the captured $$\hbox {CO}_{2}$$ CO 2 in geological formations with a global storage capacity factor at a Gt-scale within operational timescales. Regarding the utilisation route, currently, the gross global utilisation of $$\hbox {CO}_{2}$$ CO 2 is lower than 200 million tonnes per year, which is roughly negligible compared with the extent of global anthropogenic $$\hbox {CO}_{2}$$ CO 2 emissions, which is higher than 32,000 million tonnes per year. Herein, we review different $$\hbox {CO}_{2}$$ CO 2 utilisation methods such as direct routes, i.e. beverage carbonation, food packaging and oil recovery, chemical industries and fuels. Moreover, we investigated additional $$\hbox {CO}_{2}$$ CO 2 utilisation for base-load power generation, seasonal energy storage, and district cooling and cryogenic direct air $$\hbox {CO}_{2}$$ CO 2 capture using geothermal energy. Through bibliometric mapping, we identified the research gap in the literature within this field which requires future investigations, for instance, designing new and stable ionic liquids, pore size and selectivity of metal–organic frameworks and enhancing the adsorption capacity of novel solvents. Moreover, areas such as techno-economic evaluation of novel solvents, process design and dynamic simulation require further effort as well as research and development before pilot- and commercial-scale trials.

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Exploring new sources of efficiency in process-driven materials screening for post-combustion carbon capture

Abstract: Investigation of adsorbents maximum theoretical performance, computational efficiency of multiscale screening workflows, and consistency of materials rankings for CO2 capture.

Cited by 49 publications

References 80 publications

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Practically Achievable Process Performance Limits for Pressure-Vacuum Swing Adsorption-Based Postcombustion CO₂ Capture

Recent advances in carbon capture storage and utilisation technologies: a review

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Exploring new sources of efficiency in process-driven materials screening for post-combustion carbon capture

Abstract: Investigation of adsorbents maximum theoretical performance, computational efficiency of multiscale screening workflows, and consistency of materials rankings for CO2 capture.

Cited by 49 publications

References 80 publications

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Screening Supported Amine Sorbents in the Context of Post‐combustion Carbon Capture by Vacuum Swing Adsorption

Practically Achievable Process Performance Limits for Pressure-Vacuum Swing Adsorption-Based Postcombustion CO2 Capture

Recent advances in carbon capture storage and utilisation technologies: a review

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Practically Achievable Process Performance Limits for Pressure-Vacuum Swing Adsorption-Based Postcombustion CO₂ Capture