Hydrogen Evolution from Hydrocarbon Pyrolysis in a Simulated Liquid Metal Bubble Reactor
Sign Up to like & getrecommendations! Published in 2021 at "Energy & Fuels"
DOI: 10.1021/acs.energyfuels.1c01880
Abstract: This work was supported by King Abdullah University of Science and Technology (KAUST), with funds allocated to the Clean Combustion Research Centre (CCRC). The authors gratefully acknowledge Dr. Saumitra Saxena and CCRC for thoughtful suggestions… read more here.
Keywords: liquid metal; hydrocarbon pyrolysis; pyrolysis simulated; hydrogen evolution ... See more keywords
Evaluating the Chemical Reactivity of DFT-Simulated Liquid Water with Hydrated Electrons via the Dual Descriptor
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.4c00580
Abstract: Modeling the various properties of liquid water, particularly its reactivity, has been a longstanding challenge for simulation methods. Recently, ab initio simulations based on density functional theory (DFT) have come to the fore as tenable… read more here.
Keywords: dual descriptor; water; simulated liquid; dft ... See more keywords
Characterization of Simulated Liquid Radioactive Waste in a New Type of Cement Mixture
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c05507
Abstract: There is still a safety challenge for the long-term stabilization of nuclear waste. Due to its affordable price and easy manufacturing, cement is one of the most promising materials to immobilize a large volume of… read more here.
Keywords: cement mixture; waste; cement; boron ... See more keywords