Theoretical DFT Study on the Mechanisms of CO/CO2 Conversion in Chemical Looping Catalyzed by Calcium Ferrite.

The CO/CO2 conversion mechanism on the calcium ferrite (CFO) surface in chemical looping was explored by a computational study using the density functional theory approach. The CFO catalytic reaction pathway of 2CO + O2 → 2CO2 conversion has been elucidated. Our results show that the Fe center in CFO plays the key role as a catalyst in the CO/CO2 conversion. Two energetically stable spin states of CFO, quintet and septet, serve as the effective catalysts. The presence of the triplet O2 molecule caused the conversion of these two spin-state structures into each other along the catalytic reaction pathway. A double release of CO2 was predicted following this reaction mechanism. The rate-determining step is the formation of the 2CO2-CFO complex (P4) in the quintet state (19.0 kcal/mol). The predicted energy barriers for all the steps suggest that the proposed pathway is plausible.

Carbon Capture, Employment, and Coming Home from Prison.

Finding and securing employment is a huge challenge for those who have been released from prison. In this paper, we argue that carbon capture technology carries the unique potential to positively impact employment opportunities for those who are undergoing the reentry process. Notably, these careers exist nearly entirely in industries which already employ ex-felons. If carbon capture technology were implemented throughout the United States, our estimates suggest that ex-felons would be eligible for nearly 3.6 million careers. Many of these jobs would be created in industries which directly or indirectly support natural resource extraction, ethanol production, electricity generation, and iron, steel, and cement production. In addition to benefiting the economy, these careers would provide returning individuals with financial security and supportive, prosocial peer relationships. Accordingly, carbon capture carries the unique ability to promote environmental justice while simultaneously providing relief to a tremendously overburdened criminal justice system.

Kinetics, thermodynamics, and physical characterization of corn stover (Zea mays) for solar biomass pyrolysis potential analysis.

Solar pyrolysis of agricultural waste has huge potential for sustainable production of fuel and chemical feedstock. In this paper, the kinetics, thermodynamics, and physical characterization of corn stover (CS) collected from Wyoming, USA was conducted with respect to solar pyrolysis. The kinetics and thermodynamics of the CS pyrolysis was analyzed in detail using the methods described by KAS (Kissinger-Akahira-Sunose) and FWO (Flynn-Wall-Ozawa), from which the activation energy, Gibbs energy, Arrhenius pre-exponential factor, enthalpy, and entropy were derived.14 other kinetics models based on reaction order, diffusion, nucleation, geometric contraction, power models were also examined, and models based on diffusion was found to be best suited. The CS was used for solar pyrolysis of biomass and the products were analyzed by mass spectroscopy, ICP-MS, GPC, micro-GC, and Elemental analyzer. The results show that CS is suitable for solar pyrolysis to produce chemicals and other fuels.