Preparation and Crystal Structure of KFeCl3 and KFeBr3

The preparation and crystal structures of anhydrous KFeCl₃ and KFeBr₃ are described. X-ray diffraction data obtained at room temperature indicate that the two compounds belong to the orthorhombic system, space group Pnma and z = 4. Unit cell parameters are a = 8.712 Å, b = 3.845 Å, c = 14.15 Å for KFeCl₃ and a = 9.220 Å, b = 4.026 Å, c = 14.899 Å for KFeBr₃. Atomic positions were determined.     

Application of orthogonal collocations to some transport phenomena problems in co-axial cylinders and spheres

Collocation methods are developed for the solution of some differential equation models for transport phenomena problems in one-and two-dimensions in co-axial annuli of spherical and cylindrical shapes. General formulae are developed to obtain orthogonal polynomials over an arbitrary interval using two types of weighting functions. The convergence and accuracy of the methods are demonstrated using two test problems, i.e., calculation of effectiveness factors in (a) a spherical pellet with peripherally deposited catalyst and (b) a Raschig ring type cylindrical catalyst pellet. Comparisons of results obtained from the present methods with analytic solutions for the first-order reactions indicate good agreement. Numerical solutions are also obtained for the second-and the third-order reactions for which analytic solutions are not available. Results obtained in terms of a new Thiele modulus involving the ratio of volume of peripherally deposited part of catalyst to exterior surface area indicate that this normalization brings effectiveness factor versus Thiele modulus curves close together for co-axial spherical and long cylindrical pellets, as it does for these geometries without the inner co-axial portion.     

Prediction of Experimental Methanol Decomposition Rates on Platinum from First Principles

A microkinetic model for methanol decomposition on platinum is presented. The model incorporates competitive decomposition pathways, beginning with both O–H and C–H bond scission in methanol, and uses results from density functional theory (DFT) calculations [Greeley and Mavrikakis, J. Am. Chem. Soc. 124 (2002) 7193, Greeley and Mavrikakis, J. Am. Chem. Soc. 126 (2004) 3910]. Results from reaction kinetics experiments show that the rate of H₂ production increases with increasing temperature and methanol concentration in the feed and is only nominally affected by the presence of CO or H₂ with methanol. The model, based on the values of binding energies, pre-exponential factors and activation energy barriers derived from first principles calculations, accurately predicts experimental reaction rates and orders. The model also gives insight into the most favorable reaction pathway, the rate-limiting step, the apparent activation energy, coverages, and the effects of pressure. It is found that the pathway beginning with the C–H bond scission (CH₃OH→H₂COH→HCOH→CO) is dominant compared with the path beginning with O–H bond scission. The cleavage of the first C–H bond in methanol is the rate-controlling step. The surface is highly poisoned by CO, whereas COH appears to be a spectator species.     

Melt‐processable rubber: Chlorinated waste tire rubber‐filled polyvinyl chloride

Chlorinated ground rubber tire (Cl‐GRT) particles were used as filler in a plasticized polyvinylchloride (PVC) to develop a melt‐processable rubber composition. Physical properties of the Cl‐GRT‐filled PVC compound showed improvement compared to the nonchlorinated counterpart. Interaction between Cl‐GRT and PVC was examined on the basis of results of stress relaxation, dynamic mechanical thermal analysis, and solvent swelling studies. The Cl‐GRT could be loaded upto 40 parts per hundred parts of PVC, and the composition still retains the elastomeric characteristics. The Cl‐GRT‐filled composite was found to be reprocessable like the unfilled PVC compound. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 84: 622–631, 2002; DOI 10.1002/app.10352     

高速公路施工区车辆强制换道耗时生存模型

为研究高速公路施工区车辆强制换道行为及其影响因素,采用生存分析中的半参数分析方法建立强制换道耗时的乘法风险率模型.通过无人机拍摄采集高速公路施工区的车辆换道耗时及其影响因素数据,最终确立换道耗时Cox比例风险模型,对换道耗时数据进行Cox回归建模分析.结果表明:近77%的换道车辆在10 s内完成换道;小型车和中型车经养护施工区的换道耗时未发现显著性差别;对于相同的换道耗时,平峰期的累积生存率明显低于高峰期和过渡时期,而高峰期的累积生存率最高.建立的强制换道耗时生存模型可有效的定量分析车型和交通时段对高速公路施工区车辆换道行为的影响,可为高速公路施工区交通管理控制及车辆换道行为建模及仿真奠定一定的理论基础.     

Near infrared light-induced disassembly of polymeric micelles based on methylene blue conjugated polyethylene glycol

Light-sensitive drug delivery systems are considered ideal for applications in the biomedical fields for their ability to release the payload in an on-demand spatiotemporal controlled manner through the manipulation of the light source. Among the broad radiation spectrum, near infrared (NIR) light is considered advantageous compared to UV and visible light, due to its inherently lower photodamage to normal tissues and deeper penetration to lesion areas. In this study, we report a successful synthesis of a polymer capable of undergoing partial degradation upon irradiation with NIR light by conjugating 10-N-carbamoyl linkage methylene blue (MB) moiety, a NIR photocleavable ligand, with polyethylene glycol (PEG). Through effective coupling of MB, a hydrophobic moiety, to the hydrophilic PEG molecule, an amphiphilic polymer was synthesized, as demonstrated by a lowered surface tension (55 mN/m at 0.1% wt/vol). Subsequently, photo-induced reversal of surface activity associated with self-assembled structure disruption, was displayed by surface tension measurements, size distribution analysis, and burst release profile of paclitaxel (PTX) from polymeric micelles upon the exposure to NIR irradiation.     

Multi-objective reactive power market clearing in competitive electricity market using HFMOEA

This paper presents an application of a hybrid fuzzy multi-objective evolutionary algorithm (HFMOEA) for solving a highly constraint, mixed integer type, complex multi-objective reactive power market clearing (RPMC) problem for the competitive electricity market environment. In HFMOEA based multi-objective optimization approach, based on the output of a fuzzy logic controller crossover and mutation probabilities are varied dynamically. It enhances stochastic search capabilities of HFMOEA. In multi-objective RPMC optimization framework, two objective functions namely the total payment function (TPF) for reactive power support from generators and synchronous condensers and the total real transmission loss (TRTL) are minimized simultaneously for clearing the reactive power market. The proposed HFMOEA based multi-objective RPMC scheme is tested on a standard IEEE 24 bus reliability test system and its performance is compared with five other multi-objective evolutionary techniques such as MOPBIL, NSGA-II, UPS-EMOA and SPEA-2 and a new extended form of NSGA (ENSGA-II). Applying all these six evolutionary techniques, a detailed statistical analysis using T-test and boxplots is carried out on three performance metrics (spacing, spread and hypervolume) data for RPMC problem. The obtained simulation results confirm the overall superiority of HFMOEA to generate better Pareto-optimal solutions with higher convergence rate as compared to above mentioned algorithms. Further, TPF and TRTL values corresponding to the best compromise solutions are obtained using said multi-objective evolutionary techniques. These values are compared with one another to take better market clearing decisions in competitive electricity environment.     

On semantic annotation of decision models

The growth of service sector in recent years has led to renewed research interests in the design and management of service systems. Decision support systems (DSS) play an important role in supporting this endeavor, through management of organizational resources such as models and data, thus forming the “back stage” of service systems. In this article, we identify the requirements for semantically annotating decision models and propose a model representation scheme, termed Semantically Annotated Structure Modeling Markup Language (SA-SMML) that extends Structure Modeling Markup Language (SMML) by incorporating mechanisms for linking semantic models such as ontologies that represent problem domain knowledge concepts. This model representation format is also amenable to a scalable Service-Oriented Architecture (SOA) for managing models in distributed environments. The proposed model representation technique leverages recent advances in the areas of semantic web, and semantic web services. Along with design considerations, we demonstrate the utility of this representation format with an illustrative usage scenarios with a particular emphasis on model discovery and composition in a distributed environment.     

A methodology to incorporate product mix variations in cellular manufacturing

The identification of part families and machine groups that form the cells is a major step in the development of a cellular manufacturing system and, consequently, a large number of concepts, theories and algorithms have been proposed. One common assumption for most of these cell formation algorithms is that the product mix remains stable over a period of time. In today’s world, the market demand is being shaped by consumers resulting in a highly volatile market. This has given rise to a new class of products characterized by low volume and high variety. To incorporate product mix changes into an existing cellular manufacturing system many important issues have to be tackled. In this paper, a methodology to incorporate new parts and machines into an existing cellular manufacturing system has been presented. The objective is to fit the new parts and machines into an existing cellular manufacturing system thereby increasing machine utilization and reducing investment in new equipment.