光催化氧化法降解有机污染物影响因素及其效率提高途径

分析了催化剂类型、污染物性质、反应条件等因素对光催化氧化法降解有机污染物的影响,从催化剂改性、高效光催化氧化反应器及光催化与其他技术联用等方面探讨了提高光催化氧化效率的途径,展望了光催化氧化法发展前景及其工业化应用时需解决的关键问题。     

Effects of chemical additives on high-field electromechanical properties of PMN–PT–BT ceramics

A chemical additive method using sol–gel reactions was used to modify the composition and resultant properties of a commercially available 0.96(0.91Pb(Mg_1/3Nb_2/3)O₃–0.09PbTiO₃)–0.04 BaTiO₃ (PMN–PT–BT) ceramic. Without an additional ball-mixing process, several combinations of minor additives such as Fe, Ba, Sr, Zn, and Ti were incorporated by the chemical method. Weak- and high-field characteristics including dielectric properties, induced strain and polarization, and associated hystereses were evaluated for the samples sintered at 1200 °C for 4 h. All properties were found to depend on the chemical additives and temperature. Especially, the temperature dependence of high-field characteristics revealed different behavior from that reported for conventionally prepared samples. For example, the samples containing 0.5 wt.% SrO, 0.5 wt.% ZnO, and 0.5 wt.% TiO₂ did not exhibit a transition to piezoelectric behavior at the temperature expected from the dielectric measurements. Overall, the coating process has been successfully used to modify, and in some cases, enhance the high-field characteristics of PMN-based ceramics for electromechanical uses.     

A Thermo-Mechanical Study of Some Epoxy Adhesives Subjected to Combined Dynamic and Static Stresses

The object of the present study was to investigate the effect of superimposed dynamic and static stresses on mechanical and thermal properties of some epoxy adhesives. It was found that combinations of shear creep and torsional oscillations, applied simultaneously to adhesive joints at temperatures within the glassy range of the adhesive, led to strengthening of the joints in shear and to an increase in the glass transition temperature of the adhesive. Similar loading stresses applied at temperatures close to the T_g of the adhesive, led to opposite effects on the above mentioned properties of the joints. The width of the glassy-rubbery transition of the adhesives increased, in the whole range of temperatures used in this study and for all epoxy compositions, as a result of subjecting the joints to superimposed dynamic and static stresses. The broadening of the glass transition was interpreted as a result of the stiffening of polymer network during the combined stressing experiments. A linear relationship was found between the area of endothermal peaks in the first DSC scan of specimens subjected prior to test to superimposed dynamic and static stresses at temperatures below T_g, and the shear strength of the joints. In agreement with this observation and with literature data, a linear relationship was revealed also between the glass transition temperature of the resins (measured in the first DSC scan) and the shear strength of the joints. Based on experimental observations and on some literature information, it was suggested that the strengthening of the joint, as well as the changes in thermal properties of the adhesives, are mainly due to physical processes, such as short-range orientation of network chains and an increase in intermolecular interaction between highly polar sites of the network. The possibility that superimposed stressing led to changes in chemical crosslinking was discussed but it seems that no such reactions occurred.     

Chemical dynamics at surfaces

The current status of molecular dynamics simulations of chemical processes at surfaces is assessed. Limitations of the method are discussed, and recent progress towards overcoming the limitations is described. The reliability and depth of understanding achievable through interplay between simulation and experiment is illustrated by a simple example, the trapping of Ar on a Pt(111) crystal surface. The prognosis for extending these techniques to chemically reacting systems in real environments is addressed.     

A joint introduction to Gaussian Processes and Relevance Vector Machines with connections to Kalman filtering and other kernel smoothers

The expressive power of Bayesian kernel-based methods has led them to become an important tool across many different facets of artificial intelligence, and useful to a plethora of modern application domains, providing both power and interpretability via uncertainty analysis. This article introduces and discusses two methods which straddle the areas of probabilistic Bayesian schemes and kernel methods for regression: Gaussian Processes and Relevance Vector Machines. Our focus is on developing a common framework with which to view these methods, via intermediate methods a probabilistic version of the well-known kernel ridge regression, and drawing connections among them, via dual formulations, and discussion of their application in the context of major tasks: regression, smoothing, interpolation, and filtering. Overall, we provide understanding of the mathematical concepts behind these models, and we summarize and discuss in depth different interpretations and highlight the relationship to other methods, such as linear kernel smoothers, Kalman filtering and Fourier approximations. Throughout, we provide numerous figures to promote understanding, and we make numerous recommendations to practitioners. Benefits and drawbacks of the different techniques are highlighted. To our knowledge, this is the most in-depth study of its kind to date focused on these two methods, and will be relevant to theoretical understanding and practitioners throughout the domains of data-science, signal processing, machine learning, and artificial intelligence in general.     

面向水流系统功能的多维度水资源承载力评价指标体系

在简述水资源承载力研究进展的基础上,基于系统结构与功能的相互关系和水资源系统的演变特征,从水资源系统自然演化、生态服务和社会服务三大功能推演出水资源系统的水量、水质、水生栖息环境和连通性四维结构,并以此对水资源承载力进行表征。基于对水资源承载主体、客体及承载过程的分析,以水资源承载支撑力、压力和调控力描述承载过程,建立了基于承载过程的"水量-水质-水生栖息环境-连通性"四维指标体系,该指标体系可用于不同流域或区域多维水资源承载力评价。     

Biomic river restoration: A new focus for river management

River management based solely on physical science has proven to be unsustainable and unsuccessful, evidenced by the fact that the problems this approach intended to solve (e.g., flood hazards, water scarcity, and channel instability) have not been solved and long‐term deterioration in river environments has reduced the capacity of rivers to continue meeting the needs of society. In response, there has been a paradigm shift in management over the past few decades, towards river restoration. But the ecological, morphological, and societal benefits of river restoration have, on the whole, been disappointing. We believe that this stems from the fact that restoration overrelies on the same physical analyses and approaches, with flowing water still regarded as the universally predominant driver of channel form and structural intervention seen as essential to influencing fluvial processes. We argue that if river restoration is to reverse long‐standing declines in river functions, it is necessary to recognize the influence of biology on river forms and processes and re‐envisage what it means to restore a river. This entails shifting the focus of river restoration from designing and constructing stable channels that mimic natural forms to reconnecting streams within balanced and healthy biomes, and so levering the power of biology to influence river processes. We define this new approach as biomic river restoration.     

闽江下游径流量和北港分流比变化及其对水龄的影响研究

利用闽江下游多年水文资料,分析了干流流量时空变化和北港分流比变化趋势,并借助EFDC模型研究水口水库下泄流量和北港分流比对闽江下游水体水龄的影响。分析表明:闽江干流径流量年际变化不均匀,北港分流比则经历了由小变大再变小的趋势。模拟的闽江水龄结果可知水龄与下泄流量成反比关系,北港分流比减小将增加北港水体交换时间,同时减少南港水体交换时间;水龄可以定量地描述污染物在北港河道的停留时间,为保障北港水源地水质安全,需要增大枯水期上游水口水库下泄流量和增大北港分流比。     

Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC

Since chromatographic separation is a dynamic process, with the interactions between the drug and the chiral stationary phase mediated by the solvent, no single interacting structure, such as could be found by minimizing the energy, could possibly describe and account for the ratio of residence times in the chromatographic column for the enantiomeric pair. We describe the use of explicit-solvent fully atomistic molecular dynamics simulations, permitting all the interactions between the atoms constituting the chiral stationary phase, solvent molecules and the drug molecule. This allows us to better understand the molecular dynamic chiral recognition that provides the discrimination, which results in the separation of enantiomers by high performance liquid chromatography. It also provides a means of predicting, for a given set of conditions, which enantiomer elutes first and an estimate of the expected separation factor. In this review, we consider the use of molecular dynamics toward this understanding and prediction.