化工设备故障诊断仿真模型设计及计算分析

通过化工设备的结构模型、功能模型建立仿真模型,在对仿真模型分析的基础上得到症状与故障之间的数量关系并进行分析计算,推断出潜在的故障模式,为设计化工设备故障诊断专家系统奠定基础。     

A method for rapidly assessing and refining simple solvent treatments in molecular modelling. Example studies on the antigen-combining loop H2 from FAB fragment McPC603

Different simple solvent models have been implemented in anextended simulated annealing process (ESAP), developed by Higoet al. [(1992) Biopolymers, 32, 33–43] and proven to beable to predict ab initio the conformation of the antigen-combiningloop H2 from FAB McPC603. Hie rationale used here provides auseful new method for testing solvent models in general. Thedifferent solvent models comprise a high dielectric constant,a screened coulomb potential, a dummy water model and a statisticalcontinuum treatment of the solvent effect in which the reactionfield and the solvent accessible area is accounted for. To assessthe effect of the solvent, we tested the ability of simulationsto retain the experimental conformation of loop H2. We comparedthe different structures obtained at the end of the annealingprocess in terms of root mean square deviation (r.m.s.d.), forboth the backbone and for all atoms, root mean square (r.m.s.)fluctuation, solvent accessible surface area (ASA), hydrogenbonding network and - plot distribution. The relationship betweenthe r.m.s.d. and the internal energy of a structure is alsoevaluated in terms of precision and another possible methodfor obtaining the best conformation is discussed. The accuracyof modelling the coarse effect of the solvent and the similaritiesof the resulting structures with respect to the X-ray referencestructure are examined. The possible choice of one of thesesolvent models in the structure determination of an unknownloop structure is discussed     

Single-Atom Metal Sites Anchored Hydrogen-Bonded Organic Frameworks for Superior “Two-In-One” Photocatalytic Reaction

Photoredox catalysis is a green solution for organics transformation and CO₂ conversion into valuable fuels, meeting the challenges of sustainable energy and environmental concerns. However, the regulation of single-atomic active sites in organic framework not only influences the photoredox performance, but also limits the understanding of the relationship for photocatalytic selective organic conversion with CO₂ valorization into one reaction system. As a prototype, different single-atomic metal (M) sites (M²⁺ = Fe²⁺, Co²⁺, Ni²⁺, Cu²⁺, and Zn²⁺) in hydrogen-bonded organic frameworks (M-HOF) backbone with bridging structure of metal-nitrogen are constructed by a typical “two-in-one” strategy for superior photocatalytic C N coupling reactions integrated with CO₂ valorization. Remarkably, Zn-HOF achieves 100% conversion of benzylamine oxidative coupling reactions, 91% selectivity of N-benzylidenebenzylamine and CO₂ conversion in one photoredox cycle. From X-ray absorption fine structure analysis and density functional theory calculations, the superior photocatalytic performance is attributed to synergic effect of atomically dispersed metal sites and HOF host, decreasing the reaction energy barriers, enhancing CO₂ adsorption and forming benzylcarbamic acid intermediate to promote the redox recycle. This work not only affords the rational design strategy of single-atom active sites in functional HOF, but also facilitates the fundamental insights upon the mechanism of versatile photoredox coupling reaction systems.     

Aperture-Adjustable and Repairable Metal-Based MOFs Catalysis Membrane for Water Purification

Precise adjustment of the pore size, damage repair, and efficient cleaning is all challenges for the wider application of inorganic membranes. This study reports a simple strategy of combining dry-wet spinning and electrosynthesis to fabricate stainless-steel metal–organic framework composite membranes characterized by customizable pore sizes, targeted reparability, and high catalytic activity for membrane cleaning. The membrane pore size can be precisely customized in the range of 14–212 nm at nanoscale, and damaged membranes can be repaired by targeted treatment in 120 s. In addition, advanced oxidation processes can be used to quickly clean the membrane and achieve 98% flux recovery. The synergistic actions of the membrane matrix and the selective layer increase the adsorption energy of active sites to oxidant, shorten the electron transfer cycle, and enhance the overall catalytic performance. This study can provide a new direction for the development of advanced membranes for water purification and high-efficiency membrane cleaning methods.     

Improvisation of Node Mobility Using Cluster Routing-based Group Adaptive in MANET

In today's Internet routing infrastructure, designers have addressed scaling concerns in routing constrained multiobjective optimization problems examining latency and mobility concerns as a secondary constrain. In tactical Mobile Ad-hoc Network (MANET), hubs can function based on the work plan in various social affairs and the internally connected hubs are almost having the related moving standards where the topology between one and the other are tightly coupled in steady support by considering the touchstone of hubs such as a self-sorted out, self-mending and self-administration. Clustering in the routing process is one of the key aspects to increase MANET performance by coordinating the pathways using multiple criteria and analytics. We present a Group Adaptive Hybrid Routing Algorithm (GAHRA) for gathering portability, which pursues table-driven directing methodology in stable accumulations and on-request steering strategy for versatile situations. Based on this aspect, the research demonstrates an adjustable framework for commuting between the table-driven approach and the on-request approach, with the objectives of enhancing the output of MANET routing computation in each hub. Simulation analysis and replication results reveal that the proposed method is promising than a single well-known existing routing approach and is well-suited for sensitive MANET applications.     

Tariff reduction as a tool to increase the efficiency of electricity distributors: A case study in southern Brazil

The article aims to evaluate the consumer response to a reduction in the electricity tariffs as a hourly economic signal for the case of an electric utility in the state of Rio Grande do Sul, southern Brazil. Using Differences-in-differences method, the results were robust in showing that the change in the economic signal increased up to 81.01% the consumption at the time influenced by the change, improving the way in which the company's assets are used, in addition to reducing fuel oil consumption by users.     

基于AEM法的爆破拆除倒塌过程的数值模拟

利用应用单元法(AEM法),以含填充墙的某多层框架结构定向爆破拆除为例,进行倒塌过程的数值模拟。结果表明:在框架结构爆破切口形成后,结构由于重力作用逐渐沿横向偏转,并在横向最外侧的一排柱上形成活动铰,产生翻转倒塌,模拟结果与实际倒塌结果基本相符。在倒塌的过程中,结构爆破切口的横向很快进入大变形倒塌,同时引起横向隔墙的平面失去稳定而倒塌。落地的倒塌碎块,在纵向产生150kN左右的峰值冲击力,在横向产生30~50kN的峰值冲击力。基于仿真结果,可以定量设置防护措施,避免安全隐患。     

电力有源滤波器控制器的研究与仿真分析

建立了包括有源电力滤波器（ＡＰＦ）在内的公共连接点（ＰＣＣ）的数学模型;针对实际控制器计算过程中的时间延迟,提出对负载电流值进行预测的两种算法,对逆变器的开关元件提出一种新型脉宽调制（ＰＷＭ）控制方案,并采用电力电子仿真软件包进行了仿真验证。     

论株洲产业结构的调整与优化

从株洲产业结构的现状与特征出发,对如何进一步调整优化株洲的产业结构进行了探讨,提出了调整优化的产业结构的基本方针和对策。