Water-assisted absorption of CO2 by 3-amino-1-propanol: a mechanistic insight.

The mechanism of the proton transfer in the reaction between CO2 and 3-amino-1-propanol with and without water molecules is investigated quantum-mechanically. Studies revealed that water molecules and the hydroxy group of 3-amino-1-propanol explicitly participate in the proton transfer, forming carbamic acid. It is found that water has a high impact on the energetics of CO2 absorption by reducing the barrier for proton transfer. Apart from the water molecules, the hydroxy group of alkanolamine significantly affects the energetics of the reaction. Five cases involving two, three, and four protons are discussed, and it is found that the proton transfer occurs in a concerted manner that depends on the initial configuration of the reaction complex. The present study unequivocally confirms the role of water molecules in the CO2 capturing via amine-based solvents.

Anisole hydrodeoxygenation over Ni-Co bimetallic catalyst: a combination of experimental, kinetic and DFT study.

Catalytic hydrodeoxygenation (HDO) of anisole was performed with a series of Ni and Co containing catalysts with different weight ratios on activated carbon (AC) for cyclohexanol production. The catalytic activities of various catalysts revealed that Ni5Co5-AC was the best catalytic system. Structural analysis obtained from XRD, TPR, XPS, and TEM evidently demonstrates that Ni5Co5-AC sample consists of a distorted metal alloy spinel structure and optimum particle size, enhancing its catalytic performance. Kinetics were investigated to identify cyclohexanol production rate, activation energy, and reaction pathway. Structural, experimental, kinetics and density functional simulations suggested that high amount of distorted metallic alloy in Ni5Co5-AC, presence of water, high adsorption efficiency of anisole, and low adsorption tendency of cyclohexanol on metallic alloy surface were the critical factors for HDO of anisole to cyclohexanol.

Biochar for Supercapacitor Application: A Comparative Study.

Biochar is a carbon-rich solid that can be prepared through heat treatment of biomass under an inert atmosphere. In the present work, biochar prepared from different feedstocks, namely, Litchi chinensis (Litchi) seeds, Syzygium cumini (Jamun) seeds, and pine cone, were evaluated for charge storage in the form of supercapacitors. The physicochemical and electrochemical properties of the biochar were highly dependent on the preparation temperature and the choice of feedstock. Among the three feedstocks, Litchi seed-derived biochar showed the highest specific capacitance of 190 F g-1 at 1 A g-1 in a symmetric cell configuration. N and O heteroatom functionalities in the Litchi seed-derived biochar, higher specific surface area, and pore volume for electrolyte adsorption were responsible for its superior capacitive performance as compared to Jamun seeds and pine cone biochar.

Drought characterization over Indian sub-continent using GRACE-based indices.

Drought is a natural disaster affects water resources, agriculture, and social and economic development due to its long-term and frequent occurrence. It is crucial to characterize and monitor drought and its propagation to minimize the impact. However, spatiotemporal assessment of drought characteristics over India at the sub-basin scale based on terrestrial water storage is unexplored. In this study, the Terrestrial water storage anomalies (TWSA) obtained from a Gravity Recovery and Climate Experiment and precipitation data are used to characterize the propagation of drought. Combined Climatological Deviation Index (CCDI) and GRACE-Drought Severity Index (GRACE-DSI) were computed as CCDI utilizes both precipitation and TWSA data while GRACE-DSI uses only TWSA data. Our results showed that GRACE-DSI exhibits significant negative trends over most of the Indian sub-basins compared to CCDI, indicating that most of the drought events are due to depletion of TWS. While other sub-basins show changing trends for GRACE-DSI and CCDI. The number of sub-basins showing significant negative trends for GRACE-DSI is more than that for CCDI. Hence TWS is depleting for most of the subbasins in India. Our results show that Indo-Gangetic plains face many drought events during 2002-2004, 2009-2014 & 2015-2017. Maximum drought duration and drought severity obtained for the area of North Ladakh (not draining into Indus basins) by GRACE-DSI are 26 months (2002-2004) and - 44.2835, respectively. The maximum drought duration and drought severity obtained for the Shyok sub-basin by CCDI is 17 months (2013-2015) and - 13.4392, respectively. Monthly trend analysis revealed that 39 & 23 no. of sub-basins show significant negative GRACE-DSI trends for October and CCDI for November, respectively. At the same time, the seasonal trend shows that total 34 and 14 sub-basins exhibited a significant negative trend at post-monsoon Kharif season for both the GRACE-DSI & CCDI, respectively.

Oxidative catalytic valorization of industrial lignin into phenolics: Effect of reaction parameters and metal oxides.

Oxidative depolymerization of an industrial lignin was performed to study the effect of various metal oxides in oxygen and air atmosphere. CeO2 exhibited excellent catalytic property, and promoted the production of bio-oil yield up to a maximum of 49 wt% in 10 bar O2, whereas 31 wt% bio-oil was noticed in atmospheric air. GC-MS analysis of bio-oil showed that high selectivity towards acetosyringone was observed in the presence of air (70.5 area%) as compared to oxygen (48.1 area%). Herein, we have also applied transitional metals (Co, Mn and Cu) doped CeO2 catalysts. Compared to Cu and Mn, Co metal showed efficient activity that promoted the breaking of labile ß-O-4 linkages via the conversion of Cα-OH in to carbonyl group in atmospheric air resulting in the formation of acetosyringone up to 78 area%. Moreover, it exhibited excellent catalytic activity up to four successive cycles. Catalyst has been characterized by XRD, BET, TEM, FT-IR and Raman spectroscopy.

Biomass derived functional carbon materials for supercapacitor applications.

Biochar produced from the thermochemical conversion of biomass, provides a green and sustainable platform for the preparation of various functional carbon materials (porous carbon, heteroatom doped biochar, carbon nanotubes, graphene, carbon quantum dots, etc.) towards advanced application. Their preparation involves the physical as well as chemical activation of biochar or directly from the biomass. The inherent versatile physicochemical properties of these versatile materials have been explored for the construction of the electrochemical energy storage devices like supercapacitors. In the present review, the various methodologies for the preparation of various biomass-derived carbon materials are summarized. Further utilization of these materials in supercapacitor electrodes and the properties associated with their charge storage ability, along with associated challenges and perspectives are also discussed.