Kinetic and chemorheological modeling of thermosetting polyurethanes obtained from an epoxidized soybean oil polyol crosslinked with glycerin [PDF]
arXiv, 2022 Thermosetting polyurethanes were obtained using an aromatic isocyanate and a hydrophobic polyol formulation obtained from epoxidized soybean oil (ESO) crosslinked with glycerin. A systematic DSC analysis of the effect of catalyst type, crosslinker concentration, isocyanate index and ESO crystallization on the cure kinetics was conducted.
arxiv
Probing the Thermal Deoxygenation of Graphene Oxide using High Resolution In Situ X-Ray based Spectroscopies [PDF]
The Journal of Physical Chemistry C, 2011, 115, 17009-17019, 2011 Despite the recent developments in Graphene Oxide due to its importance as a host precursor of Graphene, the detailed electronic structure and its evolution during the thermal reduction remain largely unknown, hindering its potential applications.
arxiv +1 more source
Photoenzymatic epoxidation of styrenes
Chemical Communications, 2019 Photochemical reduction of flavin adenine dinucleotide (FAD) enables the direct, non-enzymatic regeneration of styrene monooxygenase for enantiospecific epoxidation reactions.
Morten M. C. H. van Schie +3 more
openaire +6 more sources
Journal of Lipid Research, 2022 In light of the importance of epoxyeicosatrienoic acids (EETs) in mammalian pathophysiology, a nonenzymatic route that might form these monoepoxides in cells is of significant interest.
James A. Weiny +4 more
doaj
An Efficient Perlite/Fe3O4 Magnetic Nanocatalyst for Carbon Dioxide Fixation Under Solvent-free Conditions at Atmospheric Pressure of CO2 [PDF]
شیمی کاربردی روزThe increasing reliance, on fuels has led to an increase in the levels of carbon dioxide causing concerning outcomes like climate change and global warming. In response to this problem, there is a solution; CO2 fixation.
Farshid Eskandari, Mohammad Bayat
doaj +1 more source
First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment [PDF]
, 2007 In this paper we investigate by means of first-principles density functional theory calculations the (111) surface of the Ag-Cu alloy under varying conditions of pressure of the surrounding oxygen atmosphere and temperature. This alloy has been recently proposed as a catalyst with improved selectivity for ethylene epoxidation with respect to pure ...
arxiv +1 more source
A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms Using DFT Methods [PDF]
ChemCatChem 4, 1844-184 (2012), 2012 Here we describe a computational study undertaken in an effort to elucidate the reaction mechanisms behind the experimentally observed oxidations and hydrations catalyzed by graphene oxide (GO). Using the oxidation of benzyl alcohol to benzaldehyde as a model reaction, density functional theory (DFT) calculations revealed that this reactivity stemmed ...
arxiv +1 more source
The Nature of Electrophilic Oxygen : Insights from Periodic Density Functional Theory Investigations [PDF]
, 2018 Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100\% selectivity.
arxiv +1 more source
Molecules, 2023 Two approaches to the synthesis of para-menthene epoxide ((1S,5S,6R)-4) are developed. The first approach includes a reaction between chlorohydrin 7 and NaH in THF. The second involves the formation of epoxide in the reaction of corresponding diacetate 6
Alexandra V. Podturkina +3 more
doaj +1 more source
Electromigration of bivalent functional groups on graphene [PDF]
Phys. Rev. B 89, 155414 (2014), 2014 Chemical functionalization of graphene holds promise for various applications ranging from nanoelectronics to catalysis, drug delivery, and nano-assembly. In many of these applications it is critical to assess the rates of electromigration - directed motion of adsorbates along the surface of current-carrying graphene due to the electron wind force.
arxiv +1 more source