Spectroscopic, Thermal and Structural Studies of Cocrystals of 2,2′-Diamino-4,4′-bis(1,3-thiazole) with 2,5-Bis(4-pyridyl)-3,4-Diaza-2,4-Hexadiene and 1,2-Bis(4-pyridyl)Ethylenediamine

Abstract  

Two cocrystals of 2,2′-diamino-4,4′-bis(1,3-thiazole) (DABTZ) with 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene (bpdh) and 1,2-bis(4-pyridyl)ethylenediamine (bpen) {[(DABTZ)(bpdh)] and [(DABTZ)(bpen)], respectively} have been synthesized and characterized by elemental analysis, IR-, ¹H NMR-, ¹³C NMR spectroscopy and were studied by thermal analysis and X-ray crystallography. Self-assembly of these compounds in the solid state is likely caused by hydrogen bonding with minor contributions from π–π stacking, C–H···π and possibly charge transfer interactions.     

Polyurea microcapsules: Surface modification and capsule size control

A postmodification method for polyurea microcapsule (PUMC) surfaces using functional polyelectrolytes is reported in this article. Fluorescein isothiocyanate (FITC) was used to probe the chemistry on PUMC surface and label nucleophilic groups on the surface, in particular amines. As well, a fluorescently labeled polyanion containing electrophilic acetoacetate groups was used to covalently react with these nucleophilic groups on the PUMC surfaces. This modification causes charge reversion of the originally cationic PUMC and enables subsequent layer‐by‐layer (LbL) coating using other polyelectrolytes, allowing for covalent or noncovalent modification of the capsule surface. All modification steps were monitored using either laser scanning confocal microscopy or fluorescence microscopy. Optical and fluorescence microscopy of PUMC wall cross‐sections embedded in resin confirmed that the modifications were restricted to the outer surface of PUMCs, offering minimum interference of this modification method with other capsule wall properties. In addition, a simple T‐junction type microfluidic device based on a commercially available MicroTEE was designed to produce narrowdisperse PUMCs. This device was easy to set up and operate and was proved to be an useful tool for making monodisperse emulsions and narrowdisperse MCs. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011     

Activity Coefficient Prediction for Binary and Ternary Aqueous Electrolyte Solutions at Different Temperatures and Concentrations

The mean spherical approximation (MSA) model, coupled with two hard sphere models, was used to predict the activity coefficients of mixtures of electrolyte solutions at different temperatures and concentrations. The models, namely the Ghotbi-Vera-MSA (GV-MSA) and Mansoori et al.-MSA (BMCSL-MSA), were directly used without introducing any new adjustable parameters for mixing of electrolyte solutions. In the correlation step, the anion diameters were considered to be constant, whereas the cation diameters were considered to be concentration dependent. The adjustable parameters were determined by fitting the models to the experimental mean ionic activity coefficients for single aqueous electrolytes at fixed temperature. The results showed that the studied models predict accurately the activity coefficients for single electrolyte aqueous solutions at different temperatures. In the systems of binary aqueous electrolyte solutions with a common anion, the GV-MSA model has slightly better accuracy in predicting the activity coefficients. Also, it was observed that the GV-MSA model can more accurately predict the activity coefficients for ternary electrolyte solutions with a common anion, especially at higher concentrations.     

Synthesis,Structure, and Solution Study of a Mercury(II) Complex with the Ligand [1‐(2‐Methoxyphenyl)‐3‐(4‐chlorophenyl)]triazene

The title ligand, [1‐(2‐methoxyphenyl)‐3‐(4‐chlorophenyl)]triazene, H L ( 1 ), was prepared. In a reaction with Hg(NO₃)₂ it forms the complex [Hg(C₂₆H₂₂Cl₂N₆O₂)], [Hg L ₂] ( 2 ). Both compounds were characterized by means of X‐ray crystallography, CHN analysis, FT‐IR, ¹H NMR, and ¹³C NMR spectroscopy. In the structure of compound 1 , two independent fragments are present in the unit cell. They exhibit trans arrangement about the –N=N– double bond. The dihedral angles between two benzene rings in both fragments are 4.36 and 18.79 Å, respectively. Non‐classic C–H ··· N hydrogen bonding and C–H ··· π interactions form a layer structure along the crystallographic ab plane [110]. In compound 2 , the Hg^II atom is hexacoordinated by two tridentate [1‐(2‐methoxyphenyl)‐3‐(4‐chlorophenyl)]triazenide ligands through a N₂O₂ set. In addition, in the structure of 2 , monomeric complexes are connected to each other by C–H ··· π stacking interactions, resulting in a 2D architecture. These C–H ··· π edge‐to‐face interactions are present with H ··· π distances of 3.156 and 3.027 Å. The results of studies of the stoichiometry and formation of complex 2 in methanol solution were found to support its solid state stoichiometry.     

Pitman closeness of k-records from two sequences to progressive Type-II censored order statistics

In this paper, we consider two independent \(k\) -record sequences with the same distribution. We determine the closeness probability of \(k\) -record values to a specific progressive Type-II censored order statistic. With this in mind, we first derive the exact expression for the Pitman closeness of records in general, and some special properties of the closeness probability are presented. Then, we apply the obtained results for the standard uniform and exponential distributions and exact expressions for the Pitman closeness are obtained. Finally, numerical results are displayed in figures.     

A model to enhance the reliability of the serial parallel systems with component mixing

System reliability, especially for serial parallel systems, has attracted much attention in recent years. Redundancy allocation is a technique to increase the reliability of the serial parallel systems. Supplying redundant components depends on some restrictions such as available budget, weight, space, etc. This paper proposes a new model for redundancy allocation problems (RAPs) by considering discount policy. The proposed model attempts to maximize the reliability of a system by gathering various components where there are some limitations on budgeting. We present two models with different assumptions including all unit discount and incremental discount strategies. The resulted formulations are nonlinear integer models and categorized as NP-hard. Therefore, some heuristics and meta-heuristics are designed to solve the resulted models, efficiently.     

Corrected Entropy of BTZ Black Holes

In this paper, corrected entropy of a class of BTZ black holes, include charge and rotation, studied. We obtain corrected Bekenstein-Hawking entropy and find that effect of charge viewed at order A ^?2, and effect of rotation viewed at order A ^?6, therefore Q and J don’t have contribution in corrected entropy lower than the second order. We also write the first law of black hole thermodynamics for the case of charged rotating BTZ black hole.     

Zonal modeling of radiative heat transfer in industrial furnaces using simplified model for exchange area calculation

The zonal analysis of industrial furnaces is considered with three-dimensional radiative heat transfer, incorporated with the mathematical zone method. In this method exchange areas are determined by simplified numerical integration in three dimensions for surface-surface, surface-gas and gas–gas zones for absorbing and emitting media. By focusing on new strategies to overcome the drawbacks of evaluating direct exchange areas, it is shown that the zone method is an effective numerical method for modeling three-dimensional thermal performance of gas-filled enclosures. Also the developed method for evaluating of exchange area is presented and compared with other methods in both sides of CPU time and accuracy. The method can decrease about 70% in error of calculation of some exchange areas as compared with the other numerical methods.     

Robust optimal dynamic production/pricing policies in a closed-loop system

Hybrid manufacturing/remanufacturing systems play a key role in implementing closed-loop production systems which have been considered due to increasingly environmental concerns and latent profit of used products. Manufacturing and remanufacturing rates, selling price of new products, and acquisition price of used products are the most critical variables to optimize in such hybrid systems. In this paper, we develop a dynamic production/pricing problem, in which decisions should be made in each period confronting with uncertain demand and return. The manufacturer is able to control the demand and return by adjusting selling price and acquisition price respectively, also she can stock inventories of used and new products to deal with uncertainties. Modeling a nominal profit maximization problem, we go through robust optimization approach to reformulate it for the uncertain case. Final robust optimization model is obtained as a quadratic programming model over discrete periods which can be solved by optimization packages of QP. A numerical example is defined and sensitivity analysis is performed on both basic parameters and parameters associated with uncertainty to create managerial views.