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Antifouling behavior on the linear suspension PEG-based surface and two-end-linked PEG-based surface of composite nanofiltration membranes via two-step interfacial polymerization
No full textHydrophilic nanofiltration membranes with single-layered or double-layered poly(ethylene glycol) (PEG) based structure were fabricated by two-step interfacial polymerization (IP) to enhance antifouling property. O,O'-bis(2-aminopropyl) polypropylene glycol-block-polyethylene glycol-block-polypropylene glycol (jeffamine) was used as monomer and modifier in both layers. The antifouling performance against bovine serum albumin (BSA) for the nascent polyamide membrane with single PEG-based layer was not satisfactory with a highest water flux recovery ratio (FRR) of 75.9%. Therefore, a second IP was performed between jeffamine and the residual unreacted chloroformyl group in selective layer to form an additional PEG-based layer, which demonstrated the two-end-linked structure when jeffamine 2003 was used and the linear suspension structure when jeffamine 600 was used. The results showed that the flux and rejection of membranes with double-layered PEG-based structure had little variation compared with that of single-layered membranes, while the antifouling performance against BSA was significantly improved by the additional PEG-based layer. Moreover, the additional linear suspension PEG-based layer contributed more to antifouling performance than the additional two-end-linked PEG-based structure. The membrane with the additional linear suspension PEG-based layer displayed a highest water FRR of 99.6%, while the membrane with the additional two-end-linked PEG-based layer displayed a highest water FRR of 83.6%
An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction
No full textAn accurate potential energy surface for the ground electronic state of SH3 system has been constructed with 41,882 high level ab initio energy points and the neural network fitting method. The time-dependent wave packet method has been used to calculate the first state-to-state differential cross sections for the title reaction up to 1.2 eV in full dimensions, based on the reactant-product decoupling scheme. It is found that the majority of H2S are produced in the ground vibrational state, with a large fraction of available energy for the reaction ending up as product translational motion. The differential cross sections at the threshold energy are dominated by a very narrow peak in the backward direction. With the increase of collision energy, the width of the angular distribution increases considerably, which is a typical feature of a direct reaction via abstract mechanism, similar to the H-2 + OH -> H2O + H reaction. (c) 2018 Wiley Periodicals, Inc
Toward Fundamentals of Confined Electrocatalysis in Nanoscale Reactors
No full textA number of experiments have demonstrated that electrochemical reactions are feasible in confined nanoscale reactors, while what the fundamentals of confined electrochemistry are is not clear. Using first-principles calculations and electrochemical modeling, we find that the capacitance in the confined nanoscale reactors can be significantly enhanced, compared to an open electrode interface, essentially promoting the electrochemical reactions and charge transfer efficiency in nanoscale reactors. More importantly, this is a general character, as found in a variety of electrochemical and thermochemical reactions. At the end, we use the recently defined new concept of "confinement energy" for understanding the nature of confined electrochemistry from both thermochemical and electrochemical points of view