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1.
Experimental and theoretical studies are performed in order to illuminate, for first time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molecules prefer to covalently connect to the graphene oxide matrix via chemical grafting, while napthalene amine molecules bind with the graphene oxide surface through π–π interactions. The presence of intercalated aromatic molecules between the graphene oxide layers is demonstrated by X‐ray diffraction, while the type of interaction between graphene oxide and polycyclic organic molecules is elucidated by X‐ray photoelectron spectroscopy. Combined quantum mechanical and molecular mechanical calculations describe the intercalation mechanism and the aniline grafting, rationalizing the experimental data. The present work opens new perspectives for the interaction of various aromatic molecules with graphite oxide and the so‐called “intercalation chemistry”.  相似文献   
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A contact probe test was developed to characterize the surface stickiness of a tomato pulp droplet at various moisture contents and temperatures. To provide tomato pulp samples with different moisture contents, tomato powder produced by a laboratory spray dryer was wetted to seven different moisture levels. The instantaneous tensile force curve was recorded during the probe withdrawal from which the maximum tensile force and other useful information were obtained and cross-examined against images of bonding, debonding, and failure of the material. Generally, at higher moisture contents tomato pulp exhibited cohesive failure followed by semi-adhesive failure, but when moisture content decreased to a certain level, a peak tensile pressure was observed and the failure was adhesive. In addition, higher temperatures shifted the points of adhesive failure toward lower moisture content.  相似文献   
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Cognitive radio systems dynamically reconfigure the algorithms and parameters they use, in order to adapt to the changing environment conditions. However, reaching proper reconfiguration decisions presupposes a way of knowing, with high enough assurance, the capabilities of the alternate configurations, especially in terms of achievable transmission capacity and coverage. The present paper addresses this problem, firstly, by specifying a complete process for extracting estimations of the capabilities of candidate configurations, in terms of transmission capacity and coverage, and, secondly, by enhancing these estimations with the employment of a machine learning technique. The technique is based on the use of Bayesian Networks, in conjunction with an effective learning and adaptation strategy, and aims at extracting and exploiting knowledge and experience, in order to reach robust (i.e. stable and reliable) estimations of the configurations' capabilities. Comprehensive results of the proposed method are presented, in order to validate its functionality. Copyright © 2007 John Wiley & Sons, Ltd.  相似文献   
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Slab casting for hot rolled steel and strip casting using the twin roll casting (TRC) method are compared in terms of inclusions evolution. There are differences of the processes, mainly the use of casting flux in CC of slabs, or pool shapes and sizes in terms of TRC, particularly when roll diameters vary. The inclusion evolution of alumina in a low carbon steel grade was estimated. By modelling particle growth rate, coagulation and deposition, an ‘agglomeration index’ was created to describe the probability of clogging in the SEN. Similarly the growth of secondary alumina precipitation during cooling of the melt in the pool by Stokes collision and turbulent collision was estimated in terms of forming large particles which are able to float‐up. Influences of melt superheat or caster size were taken into account.  相似文献   
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This contribution deals with advanced educational technologies needed to equip customers from higher education institutions, research and industry with efficient tools supporting their work and operating new skills‐training methods. The challenges are reducing the training costs, improving quality and increasing the number of graduates in engineering departments. The concept of a Virtual Lab based on the combination of various teaching methods and tools is presented. Principles of mathematisation in metallurgical education and training are discussed. An example of online course designed in the form of Virtual Lab is demonstrated.  相似文献   
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Dendrimers have attracted immense attention during the last decade due to their interesting properties both from a basic and an applied research viewpoint. Encapsulation of metal nanoparticles for catalysis, drug delivery and light harvesting are only some applications of dendrimers that are breaking new ground. A novel application of dendrimer technology is described in the present paper that relates to industrial water treatment. Industrial water systems often suffer from undesirable inorganic deposits. These can form either in the bulk or on metallic surfaces, such as heat exchangers or pipelines. Silica (SiO2) scale formation and deposition is a major problem in high‐silica‐containing cooling waters. Scale prevention rather than removal is highly desired. In this paper, benchtop screening tests on various silica inhibition chemistries are reported, with emphasis on materials with a dendrimeric structure. Specifically, the inhibition properties of commercially available STARBURST® polyaminoamide (PAMAM) dendrimers generations 0.5, 1, 1.5, 2, and 2.5 are investigated in detail together with other commonly‐used scale inhibitors. Experimental results show that inhibition efficiency largely depends on structural features of PAMAM dendrimers such as generation number and nature of the end groups. PAMAM dendrimers are effective inhibitors of silica scale growth at 40 ppm dosage levels. PAMAM dendrimers also act as silica nucleators, forming SiO2–PAMAM composites. This occurs because the SiO2 formed by incomplete inhibition interacts with cationic PAMAM‐1 and ‐2. The general scope of silica formation and inhibition in industrial waters is also discussed. Copyright © 2005 Society of Chemical Industry  相似文献   
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An enhanced higher-order finite-difference time-domain (FDTD) method for the systematic implementation of 3-D reflectionless perfectly matched layers (PML) in spherical coordinates is presented. By establishing a topologically unsplit-field formulation, the novel technique introduces accurate nonstandard schemes that eliminate the notably intricate lattice dispersion errors. Moreover, the wider spatial increments are treated via self-adaptive compact operators, while a mesh expansion process yields a significant reduction of the absorber's depth. For the temporal variable, the proposed method employs a multistage leapfrog integration that guarantees stability and excitation universality. Hence, because of the optimal configuration of the new PML, it attains a critical annihilation of both propagating and spurious wave families, even for complicated domains. Numerical investigation verifies the superiority of the higher-order algorithm via several unbounded radiation and scattering spherical problems.  相似文献   
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