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Materials Data on KY(CO)8 by Materials Project

KY(CO)8 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two KY(CO)8 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.92 Å. Y3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.39 Å. C+1.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. O2- is bonded in a 1-coordinate geometry to one K1+, one Y3+, and one C+1.50+ atom.

36 MATERIALS SCIENCE↗

Understanding CO 2 adsorption on the surfaces of SrO and its hydroxylated variants Sr(OH) 2 · n H 2 O ( n = 0, 1, 8)

Strontium oxide (SrO) is a promising material for CO 2 capture through a reversible cycle of carbonation and calcination, where SrO reacts with CO 2 to form SrCO 3 and can be regenerated by calcination. In the presence of moisture, SrO forms strontium hydroxide and its hydrates (Sr(OH) 2 ·nH 2 O). Here, this study, which employs density functional theory, investigates the CO 2 adsorption mechanism of these processes on various crystal surfaces, including SrO, Sr(OH) 2 , Sr(OH) 2 ·1H 2 O, and Sr(OH) 2 ·8H 2 O. A significant finding is that the interaction of CO 2 with these surfaces leads to carbonate/bicarbonate formation via electron transfer, with notable differences in CO 2 orientation and bond characteristics between SrO surfaces and its hydroxylated surfaces. To explore the effects of moisture on CO 2 adsorption, H 2 O adsorption on these stable surfaces was investigated. The results showed that H 2 O reacts with the SrO (100) surface to form hydroxyl (OH) groups while it bonds with the surfaces of Sr(OH) 2 ·nH 2 O (n = 0, 1, 8) with hydrogen bonding. A small amount of H 2 O can enhance CO2 adsorption while a large amount of H 2 O could decrease the capability of CO 2 adsorption.

CO2 capture↗

Dual-loop Solvent-based CCS for Net Negative CO 2 Emissions with Lower Cost

This final technical report details the successful design, construction, and operational validation of an innovative dual-loop CO 2 capture technology designed to achieve deep decarbonization (>99%) from Natural Gas Combined Cycle (NGCC) power plants that results in the electricity with carbon intensity of approximate 42 kg CO 2 -eq/MWh, less than the electricity produced by solar PV. The integrated process couples a primary aqueous solvent (in this project, a water lean solvent – WLS) absorption loop for bulk CO 2 removal with a secondary potassium hydroxide (KOH) polishing loop featuring electrochemical regeneration. This architecture leverages the higher exergy efficiency of the primary loop while utilizing the fastest kinetic of the secondary loop to capture dilute residual CO 2 , achieving an overall capture rate of 99.9% and co-producing pure hydrogen after moisture being condensed and dehydrated. Technical feasibility was established through a comprehensive 2,000-hour experimental campaign on a bench-scale fully-integrated unit (using 4” absorber and 4” stripper) with the feeding flue gas flowrate in the range of 8-20 cfm, confirming the attainment of Technology Readiness Level (TRL) 4. The project executed extensive parametric testing followed by 1,000 hours of continuous steady-state testing, demonstrating exceptional process stability with the electrochemical regenerator exhibiting less than a 10% reduction in electrical conductivity over the duration of the campaign. Operational characterization gathering on the bench unit revealed distinct energy profiles for the hybrid system: the primary loop required approximately 280 kJ mol -1 for bulk removal, while the polishing loop required approximately 1,600 kJ mol -1 specifically when reducing dilute CO 2 concentrations from ~740 ppm down to <50 ppm. (Please note those energy values/numbers can only be viewed as relative relationship and should not be extrapolated as absolute values required for CO 2 capture). Furthermore, dynamic testing validated the system’s flexibility for utility applications, demonstrating a rapid process response time of <30 minutes to changes in flue gas flowrate. Emission monitoring confirmed that the dual-loop architecture effectively mitigates solvent losses, utilizing a water wash to remove entrained aerosols to <1 ppm. The Techno-Economic Analysis (TEA) indicates a cost of capture of $\$$59.3/tonne and a Levelized Cost of Electricity (LCOE) of 71.7 $\$$/MWh at the overall capture efficiency of 99.8% of total carbon in the flue gas stream, with sensitivity analysis identifying an economic optimum when the primary loop captures 97% of the total CO 2 . A Life Cycle Assessment (LCA) confirms the technology’s potential for net-negative emissions, determining a Global Warming Potential (GWP) of 52 kg CO 2 -eq/MWh—significantly lower than the baseline—which further decreases to 42 kg CO 2 -eq/MWh when crediting the displacement of conventional hydrogen production.

03 NATURAL GAS↗