Carbon capture and storage (CCS) is vital to climate change mitigation, and has application across the economy, in addition to facilitating atmospheric carbon dioxide removal resulting in emissions offsets and net negative emissions. This contribution reviews the state-of-the-art and identifies key challenges which must be overcome in order to pave the way for its large-scale deployment.

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The present work deals with the study of palladium-silver (PdAg) and palladium-gold (PdAu) binary alloys over a broad range of temperatures and alloy compositions using density functional theory (DFT) to find possible conditions where the solubility of hydrogen (H) is significantly higher than that of pure palladium (Pd). Several alloy structures, such as Pd(100-x)Ag(x) with x = 14.81, 25.93, 37.04, and 48.51, Pd(100-x)Aux with x = 14.81, 25.93, and 37.04, and Pd(100-x)Cu(x) with x = 25.93 and 48.51 were considered. The lattice constants of these structures were optimized using DFT, and relaxed structures were used for the estimation of binding energy. It was found that the solubility of H in PdAg is higher than pure Pd with a maximum at approximately 30% Ag at 456 K. Also, the solubility of PdAu alloys was higher than pure Pd with a maximum at about 20% Au with a solubility 12 times higher than that of pure Pd. It was found that for a 3.7% H concentration in a PdAg alloy, a cell expansion of 0.15-0.2% occurs, which if ignored may affect the individual binding energy of the O-site by approximately 3.56% and may affect the predicted solubility by approximately 11.8%.

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The low-pressure gas adsorption (LPGA) method for estimation of pore capacities, pore size distributions, and total surface area using adsorption−desorption isotherms is selected as an effective technique in pore characterization. A recent application of this method is to understand the complex and heterogeneous nature of shales across the globe. The LPGA experiments were conducted on shale samples from Barnett and Eagle Ford formations in the United States using CO 2 for micropores of 0.3−1.5 nm in diameter and N 2 and Ar as the adsorbates to focus on micropores from 1.5 to 2.0 nm and the lower range of mesopores above 2.0−27 nm in diameter. It was hypothesized that a significant error in estimations could occur due to inconsistencies in the shale outgas temperatures. It was observed that lower pore capacities result from lower outgas temperatures, and higher pore capacities result from increasing outgas temperatures. It is hypothesized that lower outgas temperatures fail to completely eliminate adsorbed moisture and adsorbed low-molecular weight hydrocarbon species from shale pores, which leaves the pores partially filled and as such result in lower values of pore capacity. By increasing the outgassing temperature, the adsorbed species in the pores are completely removed, yielding higher pore capacities. The cutoff temperature of 250 °C during outgassing for regeneration of "clean" shale pores was arrived at by analyzing the LPGA results of samples without any outgassing and samples outgassed at 60, 110, and 250 °C. The 250 °C maximum outgas temperature is intended to maximize the results of LPGA while minimizing structural changes to shales. Mass stabilization as shown by thermogravimetric analysis and magnetic suspension balance measurements support the assertion that the shale is not fundamentally altered by processes such as kerogen cracking until a temperature higher than 250 °C is reached. The kerogen had approximately 3.0% weight loss at 110 °C, with an additional 1.3% loss between 110 and 250 °C. Likewise, the desorption experiments carried out on clay at 110 °C were approximately 1.3%, with an additional 0.5% loss between 110 and 250 °C. On the basis of the interpretation of pore size distributions using the LPGA method, it was concluded that accurate shale characterization is achieved when the analysis is limited to results from relative pressures (P/P o ) less than or equal to 0.90. At higher relative pressures, the sizes of the adsorbate-occupied pores cannot be distinguished.

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The fabrication and manufacturing processes of industrial commodities such as iron, glass, and cement are carbon-intensive, accounting for 23% of global CO emissions. As a climate mitigation strategy, CO capture from flue gases of industrial processes-much like that of the power sector-has not experienced wide adoption given its high associated costs. However, some industrial processes with relatively high CO flue concentration may be viable candidates to cost-competitively supply CO for utilization purposes (e.g., polymer manufacturing, etc.). This work develops a methodology that determines the levelized cost ($/tCO) of separating, compressing, and transporting carbon dioxide. A top-down model determines the cost of separating and compressing CO across 18 industrial processes. Further, the study calculates the cost of transporting CO via pipeline and tanker truck to appropriately paired sinks using a bottom-up cost model and geo-referencing approach. The results show that truck transportation is generally the low-cost alternative given the relatively small volumes (ca. 100 kt CO/a). We apply our methodology to a regional case study in Pennsylvania, which shows steel and cement manufacturing paired to suitable sinks as having the lowest levelized cost of capture, compression, and transportation.