Infrared spectra of PEHA molecule and its resistance to oxidation in water and methanol media at 298.15 K: solvent cluster size dependency
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04584-1
Abstract: The present work investigates the infrared spectra and solvation free energies (SE) of PEHA ((E)-2-(Pyridin-2-yl) ethyl 3-(3,4-dihydroxyphenyl) acrylate) and their impact on the oxidation. The latter was examined through the ionization potential parameter (IP). These… read more here.
Keywords: molecule; oxidation; water methanol; water ... See more keywords
Contrasting microscopic interactions determine the properties of water/methanol solutions
Sign Up to like & getrecommendations! Published in 2017 at "Frontiers of Physics"
DOI: 10.1007/s11467-017-0685-7
Abstract: Herein we study the different microscopic interactions occurring in water/methanol solutions at different methanol molar fractions, using NMR spctroscopy. Temperature was found to determine which interaction dominates. It was found that the mixing between water… read more here.
Keywords: microscopic interactions; water methanol; water; methanol solutions ... See more keywords
MoS2 “inorganic fullerenes” combined with TiO2 in water-methanol suspensions: Highly active hydrogen production photo catalysts operating via transfer of accumulated electrons
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2020.03.191
Abstract: Abstract Water-methanol suspensions of size-tuned hollow MoS2 “inorganic fullerenes” (IF) combined with high surface area anatase TiO2 efficiently promote photo catalytic hydrogen evolution reaction (PHER). Despite low amount of the MoS2 slabs edges in the… read more here.
Keywords: methanol suspensions; hydrogen; water methanol; mos2 ... See more keywords
Experimental and modeling study of blended membranes for direct methanol fuel cells
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Membrane Science"
DOI: 10.1016/j.memsci.2018.07.016
Abstract: Abstract The dynamics of hydronium ions and methanol molecules in hydrated SPAES and blend membranes are investigated via molecular dynamics simulations using the COMPASS force field. In addition to calculating the diffusion coefficients as a… read more here.
Keywords: modeling study; diffusion; experimental modeling; methanol ... See more keywords
Volumetric properties of solutions of choline chloride + glycerol deep eutectic solvent with water, methanol, ethanol, or iso-propanol
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.01.087
Abstract: Abstract Deep eutectic solvents (DESs) are emerging as innovative materials and regarded as cost effective IL replacements. Mixing of DESs with other solvents modifies their properties for specific applications. One of the popular DESs is… read more here.
Keywords: methanol ethanol; choline chloride; water methanol; ethanol iso ... See more keywords
Comparison of SAFT-VR-Mie and CP-PC-SAFT in predicting phase behavior of associating systems I. Ammonia–water, methanol, ethanol and hydrazine
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.05.112
Abstract: Abstract This study evaluates the accuracy of SAFT-VR-Mie coupled with the new association treatment of Dufal et al. [Mol. Phys. 113 (2015) 948] and CP-PC-SAFT in modeling ammonia(1)–water(2), –methanol(2), –ethanol(2) and –hydrazine(2) systems and the… read more here.
Keywords: methanol ethanol; water methanol; saft; ammonia water ... See more keywords
Water/Methanol-Insoluble Brown Carbon Can Dominate Aerosol Enhanced Light Absorption in Port Cities.
Sign Up to like & getrecommendations! Published in 2020 at "Environmental science & technology"
DOI: 10.1021/acs.est.0c03844
Abstract: Light absorption enhancement (Eabs) of black carbon (BC) is a key factor in global climate models, and is impacted by brown carbon (BrC) and the lensing effect of coatings. We conducted an in-depth field study… read more here.
Keywords: brc; water methanol; light absorption; port cities ... See more keywords
Solubility of l-Phosphinothricin and Its Hydrochloride in Water + (Methanol and Ethanol) Binary Solvent Mixtures from 278.15 to 318.15 K
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.9b00004
Abstract: The solubility of l-phosphinothricin (l-PPT) and its hydrochloride in water + (methanol and ethanol) binary solvent mixtures was experimentally measured from 278.15 to 318.15 K by a static analytic method under atmospheric pressure. The experimental… read more here.
Keywords: water methanol; solvent mixtures; solubility; binary solvent ... See more keywords
Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces
Sign Up to like & getrecommendations! Published in 2022 at "ACS Catalysis"
DOI: 10.1021/acscatal.1c03405
Abstract: Activating water and methanol is crucial in numerous catalytic, electrocatalytic, and photocatalytic reactions. Despite extensive research, the optimal active sites for water/methanol activation are yet to be unequivocally elucidated. Here, we combine transition-state searches and… read more here.
Keywords: water methanol; methanol activation; oxides mxenes; water ... See more keywords
Terahertz sensing of highly absorptive water-methanol mixtures with multiple resonances in metamaterials.
Sign Up to like & getrecommendations! Published in 2017 at "Optics express"
DOI: 10.1364/oe.25.014089
Abstract: Terahertz sensing of highly absorptive aqueous solutions remains challenging due to strong absorption of water in the terahertz regime. Here, we experimentally demonstrate a cost-effective metamaterial-based sensor integrated with terahertz time-domain spectroscopy for highly absorptive… read more here.
Keywords: water; water methanol; sensing highly; terahertz sensing ... See more keywords
Size–Pore-Dependent Methanol Sequestration from Water–Methanol Mixtures by an Embedded Graphene Slit
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28093697
Abstract: The separation of liquid mixture components is relevant to many applications—ranging from water purification to biofuel production—and is a growing concern related to the UN Sustainable Development Goals (SDGs), such as “Clean water and Sanitation”… read more here.
Keywords: methanol; graphene slit; water; water methanol ... See more keywords