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Fuel Savings and Emission Reductions from Next-Generation Mobile Air Conditioning Technology in India: Preprint
This paper quantifies the mobile air-conditioning fuel consumption of the typical Indian vehicle, exploring potential fuel savings and emissions reductions these systems for the next generation of vehicles
Rational design of acid stable oxide catalysts for OER with OC22
The efficiency of production via water electrolysis is typically
limited to the sluggish oxygen evolution reaction (OER). As such, significant
emphasis has been placed upon improving the rate of OER through the anode
catalyst. More recently, the Open Catalyst 2022 (OC22) has provided a large
dataset of density functional theory (DFT) calculations for OER intermediates
on the surfaces of oxides. When coupled with state-of-the-art graph neural
network models, total energy predictions can be achieved with a mean absolute
error as low as of 0.22 eV. In this work, we interpolated a database of the
total energy predictions for all slabs and OER surface intermediates for 4,119
oxide materialas in the original OC22 dataset using pre-trained models from the
OC22 framework. This database includes all terminations of all facets up to a
maximum Miller index of 1 with adsorption configurations for and .
To demonstrate the full utility of this database, we constructed a flexible
screening framework to identify viable candidate anode catalysts under a bulk
and nanoscale regime for OER by assessing the price, thermodynamic stability,
and resistance to corrosion, surface stability, and overpotential. Finally we
verified the overpotentials and reaction energies of the final candidate
catalysts using DFT. From our assessment, we were able to identify 48 and 69
viable candidates for OER under the bulk and nanoscale regime respectively
Mineralization of Acephate, a Recalcitrant Organophosphate Insecticide Is Initiated by a Pseudomonad in Environmental Samples
An aerobic bacterium capable of breaking down the pesticide acephate (O,S-dimethyl acetyl phosphoramidothioic acid) was isolated from activated sludge collected from a pesticide manufacturing facility. A phylogenetic tree based on the 16 S rRNA gene sequence determined that the isolate lies within the Pseudomonads. The isolate was able to grow in the presence of acephate at concentrations up to 80 mM, with maximum growth at 40 mM. HPLC and LC-MS/MS analysis of spent medium from growth experiments and a resting cell assay detected the accumulation of methamidophos and acetate, suggesting initial hydrolysis of the amide linkage found between these two moieties. As expected, the rapid decline in acephate was coincident with the accumulation of methamidophos. Methamidophos concentrations were maintained over a period of days, without evidence of further metabolism or cell growth by the cultures. Considering this limitation, strains such as described in this work can promote the first step of acephate mineralization in soil microbial communities