低温燃料电池的纳米电催化材料:综述(英文)

Low temperature fuel cells are an attractive technology for transportation and residential applica‐tions due to their quick start up and shut down capabilities. This review analyzed the current status of nanocatalysts for proton exchange membrane fuel cells and alkaline membrane fuel cells. The preparation process influences the performance of the nanocatalyst. Several synthesis methods are covered for noble and non‐noble metal catalysts on various catalyst supports including carbon nanotubes, carbon nanofibers, nanowires, and graphenes. Ex situ and in situ characterization methods like scanning electron microscopy, transmission electron microscopy, X‐ray photoelectron spectroscopy and fuel cell testing of the nanocatalysts on various supports for both proton exchange and alkaline membrane fuel cells are discussed. The accelerated durability estimate of the nanocat‐alysts, predicted by measuring changes in the electrochemically active surface area using a voltage cycling method, is considered one of the most reliable and valuable method for establishing durabil‐ity.     

Copper‐Mediated Formation of Aryl,Heteroaryl, Vinyl and Alkynyl Difluoromethylphosphonates: A General Approach to Fluorinated Phosphate Mimics

A general and efficient access to aryl, heteroaryl, vinyl and alkynyl difluoromethylphosphonates is described. The developed methodology using TMSCF₂PO(OEt)₂, iodonium salts and a copper salt provided a straightforward manifold to reach these highly relevant products. The reaction proved to be highly functional group tolerant and proceeded under mild conditions, giving the corresponding products in good to excellent yields. This method represents the first general synthetic route to this important class of fluorinated scaffolds, which are well‐recognized as in vivo stable phosphate surrogates.     

A statistical approach to characterize the viscoelastic creep compliances of a vinyl ester polymer

The objective of this study was to develop a model to predict the viscoelastic material functions of a vinyl ester (VE) polymer with variations in its experimentally obtained material properties under combined isothermal and mechanical loading. Short-term tensile creep experiments were conducted at three temperatures below the glass transition temperature of the VE polymer, with 10 replicates for each test configuration. The measured creep strain versus time responses were used to determine the creep compliances using the generalized viscoelastic constitutive equation with a Prony series representation. The variation in the creep compliances of a VE polymer was described by formulating the probability density functions (PDFs) and the corresponding cumulative distribution functions (CDFs) of the creep compliances using a two-parameter Weibull distribution. Both Weibull scale and shape parameters of the creep compliance distributions were shown to be time and temperature dependent. Two-dimensional quadratic Lagrange interpolation functions were used to characterize the Weibull parameters to obtain the PDFs and, subsequently, the CDFs of the creep compliances for the complete design temperature range during steady state creep. At each test temperature, creep compliance curves were obtained for constant CDF values and compared with the experimental data. The predicted creep compliances of the selected VE polymer in the design space are in good agreement with the experimental data for all three test temperatures.     

Extension of the Method of Moments in Nonlinear Free Radical Polymerization

The method of moments is a simple, efficient method simulating polymerization processes. Its use is said to be limited in nonlinear free radical polymerizations with branching or crosslinking due to the assumptions needed. Here, moment equations are derived without assuming steady state, one radical per molecule, or a statistical distribution of connections. Equations are valid up to the gel point. The bulk solution is formally identical to the pseudo kinetic approach by Tobita and Hamielec if moments of dead polymer are replaced by the sum of dead and life polymers. The method relies on analytical solutions of the moments of the molecular weight distributions (MWD) of instantaneous primary chains. In emulsion polymerization compartmentalization of radicals complicates the calculation. An alternative approximation of these MWDs is presented. The present extension allows nonlinear free radical polymerization to be readily included in the computer based design and optimization of polymerization processes and to check more detailed calculations of the MWD.

     

Molecular dynamics study on the influence of C-terminal sugar substitution on dynamics and conformation of vancomycin derivatives

Computational investigations were performed to examine the effects of the addition of 2-acetamido-2-deoxy-β-D-galactopyranosylamine or 1-amino-1-deoxy-D-glucitol connected to the C-terminus of vancomycin with different linkers. The purpose of this modification was to find more effective vancomycin derivatives by providing alternative interactions between vancomycin moiety and the peptidoglycan precursor. Each prepared vancomycin–peptidoglycan complex was optimized and submitted to the molecular dynamics study and analysis. The analysis of overall root mean square deviation, changes in position and interactions involving modified part of vancomycin as well as cluster analysis were carried out. One of the proposed vancomycin analogues seems to be efficient vancomycin substitute.     

Convergence of a non-failable mean-field particle system

The existing literature contains many examples of mean-field particle systems converging to the distribution of a Markov process conditioned to not hit a given set. In many situations, these mean-field particle systems are failable, meaning that they are not well defined after a given random time. Our first aim is to introduce an original mean-field particle system, which is always well defined and whose large number particle limit is, in all generality, the distribution of a process conditioned to not hit a given set. Under natural conditions on the underlying process, we also prove that the convergence holds uniformly in time as the number of particles goes to infinity. As an illustration, we show that our assumptions are satisfied in the case of a piece-wise deterministic Markov process.