This work focuses on the influence of different parameters on the efficiency of steel slag carbonation in slurry phase under ambient temperature. In the first part, a response surface methodology was used to identify the effect and the interactions of the gas pressure, liquid/solid (L/S) ratio, gas/liquid ratio (G/L), and reaction time on the CO2 removed/sample and to optimize the parameters. In the second part, the parameters' effect on the dissolution of CO2 and its conversion into carbonates were studied more in detail. The results show that the pressure and the G/L ratio have a positive effect on both the dissolution and the conversion of CO2. These results have been correlated with the higher CO2 mass introduced in the reactor. On the other hand, an important effect of the L/S ratio on the overall CO2 removal and more specifically on the carbonate precipitation has been identified. The best results were obtained L/S ratios of 4:1 and 10:1 with respectively 0.046 and 0.052 gCO2 carbonated/g sample. These yields were achieved after 10 min reaction, at ambient temperature, and 10.68 bar of total gas pressure following direct gas treatment.
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J Phys Chem Lett
January 2025
University of Maryland Computer-Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, United States.
An improvement in the computational efficiency of polarizable force field simulations is made through the development of a polarizable Drude water model, SWM3, in combination with the use of Lennard-Jones Particle Mesh Ewald (LJPME) for the treatment of long-range LJ interactions. The experimental bulk properties, density, heat of vaporization, dielectric constant, and self-diffusion constant of the SWM3 model are accurately replicated at ambient condition. The temperature dependence of the bulk properties is also captured except for the density.
View Article and Find Full Text PDFACS Earth Space Chem
January 2025
Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
Naturally occurring bedded salt deposits are considered robust for the permanent disposal of heat-generating nuclear waste due to their unique physical and geological properties. The Brine Availability Test in Salt (BATS) is a US-DOE Office of Nuclear Energy funded project that uses heated borehole experiments underground (∼655 meters depth) at the Waste Isolation Pilot Plant (WIPP) in the bedded salt deposits of the Salado Formation to investigate the capacity for safe disposal of high-level, heat generating nuclear waste in salt. Uncertainties associated with brine mobility near heat-generating waste motivates the need to characterize the processes and sources of brine in salt deposits.
View Article and Find Full Text PDFACS Earth Space Chem
January 2025
Department of Physics and Astronomy, University of Texas at San Antonio, San Antonio, Texas 78249, United States.
In this study, we measured the single-crystal elasticity of α-hydroquinone at ambient conditions using Brillouin spectroscopy to assess the feasibility of this technique for studying the mechanical properties of organic ices in the outer solar system. In this study, α-hydroquinone serves as an ambient temperature analogue for low-temperature organic ices on Titan and other solar system bodies. We found that a satisfactory Brillouin spectrum can be obtained in less than 5 min of experimental time with negligible damage to the sample.
View Article and Find Full Text PDFFed Pract
October 2024
Veterans Affairs Boston Healthcare System, West Roxbury, Massachusetts.
: A 65-year-old male veteran presented to the Veterans Affairs Boston Healthcare System (VABHS) emergency department with progressive fatigue, dyspnea on exertion, lightheadedness, and falls over the last month. New bilateral lower extremity numbness up to his knees developed in the week prior to admission and prompted him to seek care. Additional history included 2 episodes of transient loss of consciousness resulting in falls and a week of diarrhea, which had resolved.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Clean Energy Research Center, Korea Institute of Science and Technology (KIST), Hwarang-road 14-gil 5, Seongbuk-gu, Seoul 02792, Republic of Korea.
Electrocatalytic hydrodeoxygenation (EHDO) is a promising approach for upgrading biomass-derived bio-oils to sustainable fuels without the use of high-pressure hydrogen gas and elevated temperatures. However, direct EHDO for realistic hydrophobic lignin-based oil production remains challenging. Herein, we discuss the molecular dynamics that govern the EHDO of lignin bio-oil over Pt/C in an acidic electrolyte added with 2-propanol or a surfactant.
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