The unique characteristics of simple acid-base interactions have been exploited in designing new amine-functional reactive coalescing agents (RCAs). In addition to properties similar to commercial state-of-the-art coalescing agents (CAs), these RCAs possess reactivity that makes them suitable for producing true VOC-free/emission-free waterborne coatings.
View Article and Find Full Text PDFThe unique characteristics of water-based hydroxyethyl sulfone (HES)-vinyl sulfone (VS) dynamic equilibrium are exploited in the design of new reactive coalescing agents (RCAs) for the first time to address VOC (Volatile Organic Compound) emission issues from waterborne coatings. New RCAs were synthesized as HES analogues of widely used commercial coalescing agents (CAs) and characterized. These HES based RCAs are found to be effective towards film formation as evidenced by minimum film formation temperature (MFFT) studies.
View Article and Find Full Text PDFSingle-atom catalysts (SACs) have gained special attention due to their unique performances in CO oxidation. Herein, a single Pt atom supported on penta-graphene (Pt/PG) was explored as a SAC towards CO oxidation by applying spin-polarized first-principles calculations. The possible mechanisms for CO oxidation by O on Pt/PG, including two traditional mechanisms, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH), and a new tri-molecular Eley-Rideal (TER) mechanism, are illustrated.
View Article and Find Full Text PDFPhys Chem Chem Phys
November 2018
The catalytic reaction of carbon monoxide oxidation on boron-doped and boron-nitrogen co-doped penta-graphene materials has been systematically studied by utilizing spin-polarized density functional theory (DFT) calculations. Various pathways including the Eley-Rideal (ER), Langmuir-Hinshelwood (LH), and tri-molecular Eley-Rideal (TER) mechanisms were considered in which the TER mechanism is a newly proposed reaction mechanism for CO oxidation. According to the calculation results, the ER, LH and TER mechanisms of CO oxidation can occur and compete with each other because of the related small overall reaction energy barriers (0.
View Article and Find Full Text PDFThe laccase-catalyzed oxidative polymerization of monomeric and dimeric lignin model compounds was carried out with oxygen as the oxidant in aqueous medium. The oligomers were characterized by using gel permeation chromatography (GPC) and matrix-assisted laser desorption ionization time-of-flight mass spectroscopy (MALDI-TOF MS) analysis. Oxidative polymerization led to the formation of oligomeric species with a number-average molecular weight (M ) that ranged from 700 to 2300 Da with a low polydispersity index.
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