Search results for: charge transfer complex

Authors: Rym Sassi, Franck Fayon, Mohend Chaouche, Emmanuel Veron, Valerie Montouillout

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The chemical phenomena occurring during cement hydration are complex and interdependent, and even after almost two centuries of studies, they are still difficult to solve for complex mixtures combining different hydraulic binders. Powder-XRD has been widely used for characterizing the crystalline phases in both anhydrous and hydrated cement, but only limited information is obtained in the case of strongly disordered and amorphous phases. In contrast, local spectroscopies like solid-state NMR can provide a quantitative description of noncrystalline phases. In this work, the structural modifications occurring during hydration of a fast-setting ternary binder based on white Portland cement, white calcium aluminate cement, and calcium sulfate were investigated using advanced solid-state NMR methods. We particularly focused on the early stage of the hydration up to 28 days, working with samples whose hydration was controlled and stopped. ²⁷Al MQ-MAS as well as {¹H}-²⁷Al and {¹H}-²⁹Si Cross- Polarization MAS NMR techniques were combined to distinguish all of the aluminum and silicon species formed during the hydration. The NMR quantification of the different phases was conducted in parallel with the XRD analyses. The consumption of initial products, as well as the precipitation of hydraulic phases (ettringite, monosulfate, strätlingite, CSH, and CASH), were unambiguously quantified. Finally, the drawing of the consumption and formation of phases was correlated with mechanical strength measurements.

Keywords: cement, hydration, hydrates structure, mechanical strength, NMR

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Authors: Thomas Rowan, Mohammed Seaid

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A fast finite volume solver for multi-layered shallow water flows with mass exchange and an erodible bed is developed. This enables the user to solve a number of complex sediment-based problems including (but not limited to), dam-break over an erodible bed, recirculation currents and bed evolution as well as levy and dyke failure. This research develops methodologies crucial to the under-standing of multi-sediment fluvial mechanics and waterway design. In this model mass exchange between the layers is allowed and, in contrast to previous models, sediment and fluid are able to transfer between layers. In the current study we use a two-step finite volume method to avoid the solution of the Riemann problem. Entrainment and deposition rates are calculated for the first time in a model of this nature. In the first step the governing equations are rewritten in a non-conservative form and the intermediate solutions are calculated using the method of characteristics. In the second stage, the numerical fluxes are reconstructed in conservative form and are used to calculate a solution that satisfies the conservation property. This method is found to be considerably faster than other comparative finite volume methods, it also exhibits good shock capturing. For most entrainment and deposition equations a bed level concentration factor is used. This leads to inaccuracies in both near bed level concentration and total scour. To account for diffusion, as no vertical velocities are calculated, a capacity limited diffusion coefficient is used. The additional advantage of this multilayer approach is that there is a variation (from single layer models) in bottom layer fluid velocity: this dramatically reduces erosion, which is often overestimated in simulations of this nature using single layer flows. The model is used to simulate a standard dam break. In the dam break simulation, as expected, the number of fluid layers utilised creates variation in the resultant bed profile, with more layers offering a higher deviation in fluid velocity . These results showed a marked variation in erosion profiles from standard models. The overall the model provides new insight into the problems presented at minimal computational cost.

Keywords: erosion, finite volume method, sediment transport, shallow water equations

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Authors: Renate Gericke, Carol Long

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Despite the robust empirical support of attachment, advancement in the description and conceptualization of attachment has been slow and has not significantly advanced beyond the identification of attachment security or type (namely, secure, avoidant, ambivalent and disorganized). This has continued despite papers arguing for theoretical refinement in the classification of attachment presentations. For thinking and practice to advance, it is critically important that these categories and their assessment be interrogated in different contexts and across developmental age. To achieve this, a quantitative design was used with descriptive and inferential statistics, and general linear models were employed to analyze the data. The Attachment Story Completion Test (ASCT) was administered to 105 children between the ages of eight and twelve from socio-economically deprived contexts with high exposure to trauma. A staggering 93% of the children had insecure attachments (specifically, avoidant 37%, disorganized 34% and ambivalent 22%) and attachment was more complex than currently conceptualized in the attachment literature. Primary attachment did not only present as one of four discreet categories, but 70% of the sample had a complex attachment with more than one type of maternal attachment style. Attachment intensity also varied along a continuum (between 1 and 5). The findings have implications for a) research that has not considered the potential complexity of attachment or attachment intensity, b) policy to more actively support mother-infant dyads, particularly in high-risk contexts and c) question the applicability of a western conceptualization of a primary maternal attachment figure in non-western collectivist societies.

Keywords: attachment, children at risk, middle childhood, non-western context

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Authors: W. El-Alami, J. Araña, O. González Díaz, J. M. Doña Rodríguez

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The efficiency of the semiconductor TiO₂ needs to be improved to be an effective tool for pollutant removal. To improve the efficiency of this semiconductor, it is necessary to deepen the knowledge of the processes that take place on its surface. In this sense, the deactivation of the catalyst is one of the aspects considered relevant. In order to study this point, the processes of deactivation of TiO₂ during the gas phase degradation of ethanol have been studied. For this, catalysts with only the anatase phase (SA and PC100) and catalysts with anatase and rutile phases (P25 and P90) have been selected. In order to force the deactivation processes, different cycles have been performed, adding ethanol gas but avoiding the degradation of acetates to determine their effect on the process. The surface concentration of fluorine on the catalysts was semi-quantitatively determined by EDAX analysis. The photocatalytic experiments were done with four commercial catalysts (P25, SA, P90, and PC100) and the two fluoride catalysts indicated above. The interaction and photocatalytic degradation of ethanol were followed by Fourier transform infrared spectroscopy (FTIR). EDAX analysis has revealed the presence of sodium on the surface of fluorinated catalysts. In FTIR studies, it has been observed that the acetates adsorbed on the anatase phase in P25 and P90 give rise to electron transfer to surface traps that modify the electronic states of the semiconductor. These deactivation studies have also been carried out with fluorinated P25 and SA catalysts (F-P25 and F-SA) which have observed similar electron transfers but in the opposite direction during illumination. In these materials, it has been observed that the electrons present in the surface traps, as a consequence of the interaction Ti-F, react with the holes, causing a change in the electronic states of the semiconductor. In this way, deactivated states of these materials have been detected by different electron transfer routes. It has been identified that acetates produced from the degradation of ethanol in P25 and P90 are probably hydrated on the surface of the rutile phase. In the catalysts with only the anatase phase (SA and PC100), the deactivation is immediate if the acetates are not removed before adsorbing ethanol again. In F-P25 and F-SA has been observed that the acetates formed react with the sodium ions present on the surface and not with the Ti atoms because they are interacting with the fluorine.

Keywords: photocatalytic degradation, ethanol, TiO₂, deactivation process, F-P25

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Authors: Agryzkov Taras, Oliver Jose L., Tortosa Leandro, Vicent Jose

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This paper aims to demonstrate how the consideration of cities as a special kind of complex network, called urban network, may lead to the use of design tools coming from network theories which, in fact, results in a quite sustainable approach. There is no doubt that the irruption in contemporary thought of Gaia as an essential political agent proposes a narrative that has been extended to the field of creative processes in which, of course, the activity of Urban Design is found. The rationalist paradigm is put in crisis, and from the so-called sciences of complexity, its way of describing reality and of intervening in it is questioned. Thus, a new way of understanding reality surges, which has to do with a redefinition of the human being's own place in what is now understood as a delicate and complex network. In this sense, we know that in these systems of connected and interdependent elements, the influences generated by them originate emergent properties and behaviors for the whole that, individually studied, would not make sense. We believe that the design of cities cannot remain oblivious to these principles, and therefore this research aims to demonstrate the potential that they have for decision-making in the urban environment. Thus, we will see an example of action in the field of public mobility, another example in the design of commercial areas, and a third example in the field of redensification of sprawl areas, in which different aspects of network theory have been applied to change the urban design. We think that even though these actions have been developed in European cities, and more specifically in the Mediterranean area in Spain, the reflections and tools could have a broader scope of action.

Keywords: graphs, complexity sciences, urban networks, urban design

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Authors: Mahboobeh Mohadeszadeh, Behzad Padidaran Moghaddam

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In order to measuring dinuclear molybdenum complexes formation constant First,the reactants and the products were optimized separately and then, their frequencies were measured. In next level , with using Hartree-fock (HF) and density functional theory (DFT) methods ,Theoretical studies on the geometrical parameters, electronic properties and vibrational frequencies of dinuclear molybdenum complexes [C40H44Mo2N2O20] were investigated . These calculations were performed with the B3LYP, BPV86, B3PW91 and HF theoretical method using the LANL2DZ (for Mo’s) + 6-311G (for others) basis sets. To estimate the error rate between theoretical data and experimental data, RSquare , SError and RMS values that according with the theoretical and experimental parameters found out DFT methods has more integration with experimental data compare to HF methods. In addition, through electron specification of compounds, the percentage of atomic orbital’s attendance in making molecular orbital’s, atoms electrical charge, the sustainable energy resulting and also HOMO and LUMO orbital’s energy achieved.

Keywords: geometrical parameters, hydrogen bonding, electronic properties, vibrational frequencies

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Authors: Mahdieh Jajroudi

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Developing a pharmacokinetic model for the neuroendocrine tumors therapy agent 177Lu-DOTATATE in nude mice bearing AR42J rat pancreatic tumor to investigate and evaluate the behavior of the complex was the main purpose of this study. The utilization of compartmental analysis permits the mathematical differencing of tissues and organs to become acquainted with the concentration of activity in each fraction of interest. Biodistribution studies are onerous and troublesome to perform in humans, but such data can be obtained facilely in rodents. A physiologically based pharmacokinetic model for scaling up activity concentration in particular organs versus time was developed. The mathematical model exerts physiological parameters including organ volumes, blood flow rates, and vascular permabilities; the compartments (organs) are connected anatomically. This allows the use of scale-up techniques to forecast new complex distribution in humans' each organ. The concentration of the radiopharmaceutical in various organs was measured at different times. The temporal behavior of biodistribution of 177Lu labeled somatostatin analogues was modeled and drawn as function of time. Conclusion: The variation of pharmaceutical concentration in all organs is characterized with summation of six to nine exponential terms and it approximates our experimental data with precision better than 1%.

Keywords: biodistribution modeling, compartmental analysis, 177Lu labeled somatostatin analogues, neuroendocrine tumors

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Authors: King Kumire

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The Outer Space Treaty and the Moon Treaty have been the backbone of space law. However, scientists, engineers, and policymakers have been silent about how human settlement on celestial bodies would change the legal dimensions of space law. Indeed, these legal space regimes should have a prescription on how galactic courts should deal with the aspect of space property ownership. On this planet earth, one can vindicate his own assets. In extraterrestrial environments, this is not the case because space law is fatigued by terrestrial body sovereignty, which must be upheld. However, the recent commercialization of microgravity environments requires property ownership laws to be enacted. Space activities have mutated to the extent that it is almost possible to build communities in space. The discussions on the moon village concept will be mentioned as well to give clarity on the subject to the audience. It should be stated that launchers can now explore the cosmos with space tourists. The world is also busy doing feasibility studies on how to implement space mining projects. These activities indisputably show that the research is important because it will not only expose how the cosmic world is constrained by existing legal frameworks, but it will provide a remedy for how the inevitable dilemma of property rights can be resolved through the formulation of multilateral and all-inclusive policies. The discussion will model various aspects of terrestrial property rights and the associated remedies against what can be applicable and customized for use in extraterrestrial environments. Transfer of ownership in space is also another area of interest as the researcher shall try to distinguish between envisaged personal and real rights in the new frontier vis-a-vis mainland transfer transactions. The writer imagines the extent to which the concepts of servitudes, accession, prescription and commixes, and other property templates can act as a starting point when cosmic probers move forward with the revision of orbital law. The article seeks to reconcile these ownership constraints by working towards the development of a living space common law which is elastic and embroidered by sustainable recommendations. A balance between transplanting terrestrial laws to the galactic arena and the need to enact new ones which will complement the existing space treaties will be meticulously pivoted.

Keywords: rights, commercialisation, ownership, sovereignty

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Authors: Koray Altintas, Ozalp Vayvay

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Increased global issues such as depletion of sources, environmental problems and social inequality triggered public awareness towards finding sustainable solutions in order to ensure the well-being of the current as well as future generations. Since energy plays a significant role in improved social and economic well-being and is imperative on both industrial and commercial wealth creation, it is a must to develop a standardized set of metrics which makes it possible to indicate the present condition relative to conditions in the past and to develop any perspective which is required to frame actions for the future. This is not an easy task by considering the complexity of the issue which requires integrating economic, environmental and social aspects of sustainable energy. Multi-criteria decision making (MCDM) can be considered as a form of integrated sustainability evaluation and a decision support approach that can be used to solve complex problems featuring; conflicting objectives, different forms of data and information, multi-interests and perspectives. On that matter, MCDM methods are useful for providing solutions to complex energy management problems. The aim of this study is to review MCDM approaches that can be used for examining sustainable energy management. This study presents an insight into MCDM techniques and methods that can be useful for engineers, researchers and policy makers working in the energy sector.

Keywords: sustainable energy, sustainability criteria, multi-criteria decision making, sustainability dimensions

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Authors: Surinder Pal, Ajay Gupta, Johny Khajuria

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Casting simulation helps visualize mold filling and casting solidification; predict related defects like cold shut, shrinkage porosity and hard spots; and optimize the casting design to achieve the desired quality with high yield. Flow and solidification of molten metals are, however, a very complex phenomenon that is difficult to simulate correctly by conventional computational techniques, especially when the part geometry is intricate and the required inputs (like thermo-physical properties and heat transfer coefficients) are not available. Simulation software is based on the process of modeling a real phenomenon with a set of mathematical formulas. It is, essentially, a program that allows the user to observe an operation through simulation without actually performing that operation. Simulation software is used widely to design equipment so that the final product will be as close to design specs as possible without expensive in process modification. Simulation software with real-time response is often used in gaming, but it also has important industrial applications. When the penalty for improper operation is costly, such as airplane pilots, nuclear power plant operators, or chemical plant operators, a mockup of the actual control panel is connected to a real-time simulation of the physical response, giving valuable training experience without fear of a disastrous outcome. The all casting simulation software has own requirements, like magma cast has only best for crack simulation. The latest generation software Auto CAST developed at IIT Bombay provides a host of functions to support method engineers, including part thickness visualization, core design, multi-cavity mold design with common gating and feeding, application of various feed aids (feeder sleeves, chills, padding, etc.), simulation of mold filling and casting solidification, automatic optimization of feeders and gating driven by the desired quality level, and what-if cost analysis. IIT Bombay has developed a set of applications for the foundry industry to improve casting yield and quality. Casting simulation is a fast and efficient solution for process for advanced tool which is the result of more than 20 years of collaboration with major industrial partners and academic institutions around the world. In this paper the process of casting simulation is studied.

Keywords: casting simulation software’s, simulation technique’s, casting simulation, processes

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Authors: David Shengelia, Giorgi Chichinadze, Tamara Tsutsunava, Giorgi Beridze, Irakli Javakhishvili

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The Loki pre-Alpine crystalline massif crops out within the Caucasus region. The massif basement is represented by the Upper Devonian gneissose quartz-diorites, the Lower-Middle Paleozoic metamorphic allochthonous complex, and different magmatites. Earlier, the metamorphic complex was considered as indivisible set represented by the series of different temperature metamorphits. The degree of metamorphism of separate parts of the complex is due to different formation conditions. This fact according to authors of the abstract was explained by the allochthonous-flaky structure of the complex. It was stated that the complex thrust over the gneissose quartz diorites before the intrusion of Sudetic granites. During the detailed mapping, the authors turned out that the metamorphism issues need to be reviewed and additional researches to be carried out. Investigations were accomplished by using the following methodologies: finding of key sections, a sampling of rocks, microscopic description of the material, analytical determination of elements in the rocks, microprobe analysis of minerals and new interpretation of obtained data. According to the author’s recent data within the massif four tectonic plates: Lower Gorastskali, Sapharlo-Lok-Jandari, Moshevani and “mélange” overthrust sheets have been mapped. They differ from each other by composition, the degree of metamorphism and internal structure. It is confirmed that the initial rocks of the tectonic plates formed in different geodynamic conditions during overthrusting due to tectonic compression form a thick tectonic sheet. Based on the detailed laboratory investigations additional mineral assemblages were established, temperature limits were specified, and a renewed trend of metamorphism facies and subfacies was elaborated. The results are the following: 1. The Lower Gorastskali overthrust sheet is a fragment of ophiolitic association corresponding to the Paleotethys oceanic crust. The main rock-forming minerals are carbonate, chlorite, spinel, epidote, clinoptilolite, plagioclase, hornblende, actinolite, hornblende, albite, serpentine, tremolite, talc, garnet, and prehnite. Regional metamorphism of rocks corresponds to the greenschist facies lowest stage. 2. The Sapharlo-Lok-Jandari overthrust sheet metapelites are represented by chloritoid, chlorite, phengite, muscovite, biotite, garnet, ankerite, carbonate, and quartz. Metabasites containing actinolite, chlorite, plagioclase, calcite, epidote, albite, actinolitic hornblende and hornblende are also present. The degree of metamorphism corresponds to the greenschist high-temperature chlorite, biotite, and low-temperature garnet subfacies. Later the rocks underwent the contact influence of Late Variscan granites. 3. The Moshevani overthrust sheet is represented mainly by metapelites and rarely by metabasites. Main rock-forming minerals of metapelites are muscovite, biotite, chlorite, quartz, andalusite, plagioclase, garnet and cordierite and of metabasites - plagioclase, green and blue-green hornblende, chlorite, epidote, actinolite, albite, and carbonate. Metamorphism level corresponds to staurolite-andalusite subfacies of staurolite facies and partially to facies of biotite muscovite gneisses and hornfelse facies as well. 4. The “mélange” overthrust sheet is built of different size rock fragments and blocks of Moshevani and Lower Gorastskali overthrust sheets. The degree of regional metamorphism of first and second overthrust sheets of the Loki massif corresponds to chlorite, biotite, and low-temperature garnet subfacies, but of the third overthrust sheet – to staurolite-andalusite subfacies of staurolite facies and partially to facies of biotite muscovite gneisses and hornfelse facies.

Keywords: regional metamorphism, crystalline massif, mineral assemblages, the Caucasus

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Authors: Abdulfattah A. Q .Alwah, Wen Li, Mohammed A. Q. Alwah, Duc Thien Tran, Bing Xi Liu

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The historical cities in the third world suffer from many environmental problems; one of them is the spread of visual pollution manifestations. These phenomena increase with low levels of public awareness and low per capita income. The historical city of Ibb is suffering from a variety of visual pollution of the urban environment, so it has been chosen as a case study. This study aims to identify the difficulty and complexity of dealing with visual pollutions manifestations in the historical city of Ibb, and to provide appropriate solutions, which suit with the complex and contradictory circumstances. The study relies on an inductive approach to achieve its aims through two methods; the first is a visual survey of the visual pollution phenomenon based on images and researcher notes. The Second method is the analyses of the opinions and impressions of the city's residents and visitors through interviews, in addition to interviews with the officials in the competent authorities, and some specialists in the field of urban environment. Through the results of the field study and discussion of the interview results, this study presents an analysis of the phenomenon of visual distortion of the historical city of Ibb regarding the appearances and the reasons. Furthermore, this study provides appropriate solutions, which suitable with the complex and contradictory circumstances. These solutions take two paths: the first one is to stop the spread of visual distortions, and the second path is to address the current visual pollutions.

Keywords: visual pollution, visual image, urban environment, difficulty, complexity, historical cities, the historical city of Ibb

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Authors: N. Rajmohan, M. R. Swaminathan

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The performance of a diesel engine depends mainly on mixing of the fuel and air in the combustion chamber. The diesel engine suffers from significant generation of nitric oxide and particulate matter emission due to incomplete combustion. As the fuel is injected directly into the combustion chamber in conventional diesel engines, spatial distributions of air-fuel ratio vary widely from rich to lean in combustion chamber. The NOx is formed in stoichiometric zone and smoke is generated during diffusion combustion period where the combustion rate becomes slower. One of the effective methods to reduce oxides of nitrogen and particulate matter emissions simultaneously is to reduce the intake charge temperature in diesel engines. Therefore, in the present study, the effect of water injection into intake air on performance and emission characteristic of single cylinder CI engine are carried out at different load and constant speed, with variable water to diesel ratio by mass. The water is injected into intake air by an elementary carburetor.

Keywords: engine emission control, oxides of nitrogen, diesel engine, ignition engine

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Authors: Alper T. Celebi, Ali Beskok

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Electroosmotic (EO) slip flows in nanochannels are investigated using non-equilibrium molecular dynamics (MD) simulations, and the results are compared with analytical solution of Poisson-Boltzmann and Stokes (PB-S) equations with slip contribution. The ultimate objective of this study is to show that well-known continuum flow model can accurately predict the EO velocity profiles in nanochannels using the slip lengths and apparent viscosities obtained from force-driven flow simulations performed at various liquid-wall interaction strengths. EO flow of aqueous NaCl solution in silicon nanochannels are simulated under realistic electrochemical conditions within the validity region of Poisson-Boltzmann theory. A physical surface charge density is determined for nanochannels based on dissociations of silanol functional groups on channel surfaces at known salt concentration, temperature and local pH. First, we present results of density profiles and ion distributions by equilibrium MD simulations, ensuring that the desired thermodynamic state and ionic conditions are satisfied. Next, force-driven nanochannel flow simulations are performed to predict the apparent viscosity of ionic solution between charged surfaces and slip lengths. Parabolic velocity profiles obtained from force-driven flow simulations are fitted to a second-order polynomial equation, where viscosity and slip lengths are quantified by comparing the coefficients of the fitted equation with continuum flow model. Presence of charged surface increases the viscosity of ionic solution while the velocity-slip at wall decreases. Afterwards, EO flow simulations are carried out under uniform electric field for different liquid-wall interaction strengths. Velocity profiles present finite slips near walls, followed with a conventional viscous flow profile in the electrical double layer that reaches a bulk flow region in the center of the channel. The EO flow enhances with increased slip at the walls, which depends on wall-liquid interaction strength and the surface charge. MD velocity profiles are compared with the predictions from analytical solutions of the slip modified PB-S equation, where the slip length and apparent viscosity values are obtained from force-driven flow simulations in charged silicon nano-channels. Our MD results show good agreements with the analytical solutions at various slip conditions, verifying the validity of PB-S equation in nanochannels as small as 3.5 nm. In addition, the continuum model normalizes slip length with the Debye length instead of the channel height, which implies that enhancement in EO flows is independent of the channel height. Further MD simulations performed at different channel heights also shows that the flow enhancement due to slip is independent of the channel height. This is important because slip enhanced EO flow is observable even in micro-channels experiments by using a hydrophobic channel with large slip and high conductivity solutions with small Debye length. The present study provides an advanced understanding of EO flows in nanochannels. Correct characterization of nanoscale EO slip flow is crucial to discover the extent of well-known continuum models, which is required for various applications spanning from ion separation to drug delivery and bio-fluidic analysis.

Keywords: electroosmotic flow, molecular dynamics, slip length, velocity-slip

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Authors: Huang Yong, Chen Qianting, Zhao Shurong

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In order to identify the role and effect of Characteristic Towns as an important means to promote urban-rural integration, this paper uses Flow Theory and complex network analysis methods to jointly construct the identification path of urban-rural integration capabilities of Characteristic Towns. Take the National Characteristic Towns of Yunnan Province as the empirical objects to identify their role laws. The study found that in the implementation of the National Characteristic Town Project in Yunnan Province, (1) the population is more susceptible to the impact of the Characteristic Town Project than the technical elements, but the stability is poor; (2) The flow capacity of urban and rural technical elements is weak, and the quality of the enterprise cooperation network in general; (3) Compared with the batch of Characteristic Towns in 2016, its ability to promote urban-rural integration is higher in 2017; (4) The role of the Characteristic Town Project on urban-rural integration focuses on the improvement of the number of urban and rural flow elements. This paper analyzes the mode of the role of Characteristic Towns on urban-rural integration from the perspective of ‘flow,’ establishes a research paradigm for evaluating the role of Characteristic Towns in urban-rural integration capabilities, and builds a path for the application of Characteristic Towns to support the realization of urban-rural integration goals.

Keywords: characteristic town, urban-rural integration, flow theory, complex network analysis

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Authors: Atoum Abdullah

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The purpose of this research is to determine the extent to which computer animation and narration affect students’ understanding of complex scientific concepts and improve their exam performance, this is compared to traditional lectures that include PowerPoints with texts and static images. A mixed-method design in data collection was used, including quantitative and qualitative data. Quantitative data was collected using a pre and post-test method and a close-ended questionnaire. Qualitative data was collected through an open-ended questionnaire. A pre and posttest strategy was used to measure the level of students’ understanding with and without the use of animation. The test included multiple-choice questions to test factual knowledge, open-ended questions to test conceptual knowledge, and to label the diagram questions to test application knowledge. The results showed that students on average, performed significantly higher on the posttest as compared to the pretest on all areas of acquired knowledge. However, the increase in the posttest score with respect to the acquisition of conceptual and application knowledge was higher compared to the increase in the posttest score with respect to the acquisition of factual knowledge. This result demonstrates that animation is more beneficial when acquiring deeper, conceptual, and cognitive knowledge than when only factual knowledge is acquired.

Keywords: animation, narration, science, teaching

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Authors: Souvik Das, Sandip Bhattacharya, Goutam Mukhopadhyay, Manashi Adhikary

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Wires breakages during cold drawing are a complex phenomenon; wire breakages may be induced by improper wire-rod quality, inappropriate heat-treated microstructure, and/or lubrication breakdown on the wire surface. A comprehensive metallurgical investigation of failed/broken wire samples is therefore essential for understanding the origin of failure. Frequent breakage of wires during drawing is a matter of serious concern to the wire drawers as it erodes their already slim margins through reduced productivity and loss in yield. The present paper highlights the failure investigation of wires of Low Relaxation Prestressed High Carbon grade during cold drawing due to entrapment of hard constituents detached from the roller entry guide during rolling operations. The hardness measurement of this entrapped location indicates 54.9 Rockwell Hardness as against the rest portion 33.4 Rockwell Hardness. The microstructure chemical analysis and X-ray mapping analysis data of the entrapment location confirmed complex chromium carbide originated from D2-steel used in entry guide during the rolling process. Since the harder entrapped phase could not be deformed in the same manner as the parent phase, the failure of the wire rod occurs during hot rolling.

Keywords: LRPC, D2-steel, chromium carbide, roller guide

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Authors: Pujari Muruga, T. K. Radhakrishnan, N. Samsudeen

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Hydrogen is considered as the most important energy carrier and fuel of the future because of its high energy density and zero emission properties. Microbial Electrolysis Cell (MEC) is a new and promising approach for hydrogen production from organic matter, including wastewater and other renewable resources. By utilizing anode microorganism activity, MEC can produce hydrogen gas with smaller voltages (as low as 0.2 V) than those required for electrolytic hydrogen production ( ≥ 1.23 V). The hydrogen production processes of the MEC reactor are very nonlinear and highly complex because of the presence of microbial interactions and highly complex phenomena in the system. Increasing the hydrogen production rate and lowering the energy input are two important challenges of MEC technology. The mathematical model of the MEC is based on material balance with the integration of bioelectrochemical reactions. The main objective of the research is to produce biohydrogen by selecting the optimum current and controlling applied voltage to the MEC. Precise control is required for the MEC reactor, so that the amount of current required to produce hydrogen gas can be controlled according to the composition of the substrate in the reactor. Various simulation tests involving multiple set-point changes disturbance and noise rejection were performed to evaluate the performance using PID controller tuned with Ziegler Nichols settings. Simulation results shows that other good controller can provide better control effect on the MEC system, so that higher hydrogen production can be obtained.

Keywords: microbial electrolysis cell, hydrogen production, applied voltage, PID controller

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Authors: William J. Crowther, Conor Marsh

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Object-based flow simulation allows fast computation of arbitrarily complex aerodynamic models made up of simple objects with limited flow interactions. The proposed approach is universally applicable to objects made from arbitrarily scaled ellipsoid primitives at arbitrary aerodynamic attitude and angular rate. The use of a component-based aerodynamic modelling approach increases efficiency by allowing selective inclusion of different physics models at run-time and allows extensibility through the development of new models. Insight into the numerical stability of the model under first order fixed-time step integration schemes is provided by stability analysis of the drag component. The compute cost of model components and functions is evaluated and compared against numerical benchmarks. Model static outputs are verified against theoretical expectations and dynamic behaviour using falling plate data from the literature. The model is applied to a range of case studies to demonstrate the efficacy of its application in extensibility, ease of use, and low computational cost. Dynamically complex multi-body systems can be implemented in a transparent and efficient manner, and we successfully demonstrate large scenes with hundreds of objects interacting with diverse flow fields.

Keywords: aerodynamics, real-time simulation, low-order model, flight dynamics

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Authors: Rizwan Ullah, Abdar Ali, Zahid Ullah

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This paper illustrates the study of three isolated zero voltage switched (ZVS) PWM full bridge (FB) converters to charge the high voltage battery in the charger of electric vehicle (EV). EV battery chargers have several challenges such as high efficiency, high reliability, low cost, isolation, and high power density. The cost of magnetic and filter components in the battery charger is reduced when switching frequency is increased. The increase in the switching frequency increases switching losses. ZVS is used to reduce switching losses and to operate the converter in the battery charger at high frequency. The performance of each of the three converters is evaluated on the basis of ZVS range, dead times of the switches, conduction losses of switches, circulating current stress, circulating energy, duty cycle loss, and efficiency. The limitations and merits of each PWM FB converter are reviewed. The converter with broader ZVS range, high efficiency and low switch stresses is selected for battery charger applications in EV.

Keywords: electric vehicle, PWM FB converter, zero voltage switching, circulating energy

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Authors: Vinko Lešić, Mario Vašak, Anita Martinčević, Marko Gulin, Antonio Starčić, Hrvoje Novak

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With 40% of total world energy consumption, building systems are developing into technically complex large energy consumers suitable for application of sophisticated power management approaches to largely increase the energy efficiency and even make them active energy market participants. Centralized control system of building heating and cooling managed by economically-optimal model predictive control shows promising results with estimated 30% of energy efficiency increase. The research is focused on implementation of such a method on a case study performed on two floors of our faculty building with corresponding sensors wireless data acquisition, remote heating/cooling units and central climate controller. Building walls are mathematically modeled with corresponding material types, surface shapes and sizes. Models are then exploited to predict thermal characteristics and changes in different building zones. Exterior influences such as environmental conditions and weather forecast, people behavior and comfort demands are all taken into account for deriving price-optimal climate control. Finally, a DC microgrid with photovoltaics, wind turbine, supercapacitor, batteries and fuel cell stacks is added to make the building a unit capable of active participation in a price-varying energy market. Computational burden of applying model predictive control on such a complex system is relaxed through a hierarchical decomposition of the microgrid and climate control, where the former is designed as higher hierarchical level with pre-calculated price-optimal power flows control, and latter is designed as lower level control responsible to ensure thermal comfort and exploit the optimal supply conditions enabled by microgrid energy flows management. Such an approach is expected to enable the inclusion of more complex building subsystems into consideration in order to further increase the energy efficiency.

Keywords: price-optimal building climate control, Microgrid power flow optimisation, hierarchical model predictive control, energy efficient buildings, energy market participation

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Authors: Irina A. Gudkova, Yousra Demigha

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Scientific research is moving more and more towards the study of complex systems in several areas of economics, biology physics, and computer science. In this paper, we will work on complex systems in communication networks, Wireless Sensor Networks (WSN) that are considered as stochastic systems composed of interacting entities. The current advancements of the sensing in computing and communication systems is an investment ground for research in several tracks. A detailed presentation was made for the WSN, their use, modeling, different problems that can occur in their application and some solutions. The main goal of this work reintroduces the idea of mean field method since it is a powerful technique to solve this type of models especially systems that evolve according to a Continuous Time Markov Chain (CTMC). Modeling of a CTMC has been focused; we obtained a large system of interacting Continuous Time Markov Chain with population entities. The main idea was to work on one entity and replace the others with an average or effective interaction. In this context to make the solution easier, we consider a wireless sensor network as a multi-body problem and we reduce it to one body problem. The method was applied to a system of WSN modeled as a Markovian queue showing the results of the used technique.

Keywords: Continuous-Time Markov Chain, Hidden Markov Chain, mean field method, Wireless sensor networks

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Authors: Masoud Ghaemi, MohammadJafar Hedayati, Faezeh Yousefzadeh, Hoseinali Heydarzadeh

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According to the statistics of the International Committee on Large Dams, internal erosion and piping (scour) are major causes of the destruction of earth-fill dams. If such dams are constructed in narrow valleys, the valley walls will increase the arching of the dam body due to the transfer of vertical and horizontal stresses, so the occurrence of hydraulic fracturing in these embankments is more likely. Roudbar Dam in Lorestan is a clay-core pebble earth-fill dam constructed in a relatively narrow valley in western Iran. Three years after the onset of impoundment, there has been a fall in dam behavior. Evaluation of the dam behavior based on the data recorded on the instruments installed inside the dam body and foundation confirms the occurrence of internal erosion in the lower and adjacent parts of the core on the left support (abutment). The phenomenon of hydraulic fracturing is one of the main causes of the onset of internal erosion in this dam. Accordingly, the main objective of this paper is to evaluate the validity of this hypothesis. To evaluate the validity of this hypothesis, the dam behavior during construction and impoundment has been first simulated with a three-dimensional numerical model. Then, using validated empirical equations, the safety factor of the occurrence of hydraulic fracturing phenomenon upstream of the dam score was calculated. Then, using the artificial neural network, the failure time of the given section was predicted based on the maximum stress trend created. The study results show that steep slopes of valley walls, sudden changes in coefficient, and differences in compressibility properties of dam body materials have caused considerable stress transfer from core to adjacent valley walls, especially at its lower levels. This has resulted in the coefficient of confidence of the occurrence of hydraulic fracturing in each of these areas being close to one in each of the empirical equations used.

Keywords: arching, artificial neural network, FLAC3D, hydraulic fracturing, internal erosion, pore water pressure

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Authors: Moshe Mello, Hilary Rutto, Tumisang Seodigeng

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The nature of tires makes them extremely challenging to recycle due to the available chemically cross-linked polymer and, therefore, they are neither fusible nor soluble and, consequently, cannot be remolded into other shapes without serious degradation. Open dumping of tires pollutes the soil, contaminates underground water and provides ideal breeding grounds for disease carrying vermins. The thermal decomposition of tires by pyrolysis produce char, gases and oil. The composition of oils derived from waste tires has common properties to commercial diesel fuel. The problem associated with the light oil derived from pyrolysis of waste tires is that it has a high sulfur content (> 1.0 wt.%) and therefore emits harmful sulfur oxide (SOx) gases to the atmosphere when combusted in diesel engines. Desulphurization of TPO is necessary due to the increasing stringent environmental regulations worldwide. Hydrodesulphurization (HDS) is the commonly practiced technique for the removal of sulfur species in liquid hydrocarbons. However, the HDS technique fails in the presence of complex sulfur species such as Dibenzothiopene (DBT) present in TPO. This study aims to investigate the viability of photodegradation (Photocatalytic oxidative desulphurization) and adsorptive desulphurization technologies for efficient removal of complex and non-complex sulfur species in TPO. This study focuses on optimizing the cleaning (removal of impurities and asphaltenes) process by varying process parameters; temperature, stirring speed, acid/oil ratio and time. The treated TPO will then be sent for vacuum distillation to attain the desired diesel like fuel. The effect of temperature, pressure and time will be determined for vacuum distillation of both raw TPO and the acid treated oil for comparison purposes. Polycyclic sulfides present in the distilled (diesel like) light oil will be oxidized dominantly to the corresponding sulfoxides and sulfone via a photo-catalyzed system using TiO2 as a catalyst and hydrogen peroxide as an oxidizing agent and finally acetonitrile will be used as an extraction solvent. Adsorptive desulphurization will be used to adsorb traces of sulfurous compounds which remained during photocatalytic desulphurization step. This desulphurization convoy is expected to give high desulphurization efficiency with reasonable oil recovery.

Keywords: adsorption, asphaltenes, photocatalytic oxidation, pyrolysis

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Authors: Bernd Sauer, Michel Werner, Stefan Emrich, Michael Kopnarski, Oliver Koch

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Friction reduction is an important aspect in the context of sustainability and energy transition. Rolling bearings are therefore used in many applications in which components move relative to each other. Conventionally lubricated rolling bearings are used in a wide range of applications, but are not suitable under certain conditions. Conventional lubricants such as grease or oil cannot be used at very high or very low temperatures. In addition, these lubricants evaporate at very low ambient pressure, e.g. in a high vacuum environment, making the use of solid lubricated bearings unavoidable. With the use of solid-lubricated bearings, predicting the service life becomes more complex. While the end of the service life of bearings with conventional lubrication is mainly caused by the failure of the bearing components due to material fatigue, solid-lubricated bearings fail at the moment when the lubrication layer is worn and the rolling elements come into direct contact with the raceway during operation. In order to extend the service life of these bearings beyond the service life of the initial coating, the use of transfer lubrication is recommended, in which pockets or sacrificial cages are used in which the balls run and can thus absorb the lubricant, which is then available for lubrication in tribological contact. This contribution presents the results of wear and service life tests on solid-lubricated rolling bearings with sacrificial cage pockets. The cage of the bearing consists of a polyimide (PI) matrix with 15% molybdenum disulfide (MoS2) and serves as a lubrication depot alongside the silver-coated balls. The bearings are tested under high vacuum (pE < 10-2 Pa) at a temperature of 300 °C on a four-bearing test rig. First, investigations of the bearing system within the bearing service life are presented and the torque curve, the wear mass and surface analyses are discussed. With regard to wear, it can be seen that the bearing rings tend to increase in mass over the service life of the bearing, while the balls and the cage tend to lose mass. With regard to the elementary surface properties, the surfaces of the bearing rings and balls are examined in terms of the mass of the elements on them. Furthermore, service life investigations with different material pairings are presented, whereby the focus here is on the service life achieved in addition to the torque curve, wear development and surface analysis. It was shown that MoS2 in the cage leads to a longer service life, while a silver (Ag) coating on the balls has no positive influence on the service life and even appears to reduce it in combination with MoS2.

Keywords: ball bearings, molybdenum disulfide, solid lubricated bearings, solid lubrication mechanisms

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Authors: Xiang Shijie, Zhou Dong, Tian Dan

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This paper focuses on the application of real-time semantic segmentation technology in complex road condition recognition, aiming to address the critical issue of how to improve segmentation accuracy while ensuring real-time performance. Semantic segmentation technology has broad application prospects in fields such as autonomous vehicle navigation and remote sensing image recognition. However, current real-time semantic segmentation networks face significant technical challenges and optimization gaps in balancing speed and accuracy. To tackle this problem, this paper conducts an in-depth study and proposes an innovative Guided Image Reconstruction Module. By resampling high-resolution images into a set of low-resolution images, this module effectively reduces computational complexity, allowing the network to more efficiently extract features within limited resources, thereby improving the performance of real-time segmentation tasks. In addition, a dual-branch network structure is designed in this paper to fully leverage the advantages of different feature layers. A novel Hybrid Attention Mechanism is also introduced, which can dynamically capture multi-scale contextual information and effectively enhance the focus on important features, thus improving the segmentation accuracy of the network in complex road condition. Compared with traditional methods, the proposed model achieves a better balance between accuracy and real-time performance and demonstrates competitive results in road condition segmentation tasks, showcasing its superiority. Experimental results show that this method not only significantly improves segmentation accuracy while maintaining real-time performance, but also remains stable across diverse and complex road conditions, making it highly applicable in practical scenarios. By incorporating the Guided Image Reconstruction Module, dual-branch structure, and Hybrid Attention Mechanism, this paper presents a novel approach to real-time semantic segmentation tasks, which is expected to further advance the development of this field.

Keywords: hybrid attention mechanism, image reconstruction, real-time, road status recognition

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Authors: Chen Guo, Heng Tang, Ben Niu

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Clustering splits objects into different groups based on similarity, making the objects have higher similarity in the same group and lower similarity in different groups. Thus, clustering can be treated as an optimization problem to maximize the intra-cluster similarity or inter-cluster dissimilarity. In real-world applications, the datasets often have some complex characteristics: sparse, overlap, high dimensionality, etc. When facing these datasets, simultaneously optimizing two or more objectives can obtain better clustering results than optimizing one objective. However, except for the objectives weighting methods, traditional clustering approaches have difficulty in solving multi-objective data clustering problems. Due to this, evolutionary multi-objective optimization algorithms are investigated by researchers to optimize multiple clustering objectives. In this paper, the Data Clustering algorithm based on Multi-objective Periodic Bacterial Foraging Optimization with two Learning Archives (DC-MPBFOLA) is proposed. Specifically, first, to reduce the high computing complexity of the original BFO, periodic BFO is employed as the basic algorithmic framework. Then transfer the periodic BFO into a multi-objective type. Second, two learning strategies are proposed based on the two learning archives to guide the bacterial swarm to move in a better direction. On the one hand, the global best is selected from the global learning archive according to the convergence index and diversity index. On the other hand, the personal best is selected from the personal learning archive according to the sum of weighted objectives. According to the aforementioned learning strategies, a chemotaxis operation is designed. Third, an elite learning strategy is designed to provide fresh power to the objects in two learning archives. When the objects in these two archives do not change for two consecutive times, randomly initializing one dimension of objects can prevent the proposed algorithm from falling into local optima. Fourth, to validate the performance of the proposed algorithm, DC-MPBFOLA is compared with four state-of-art evolutionary multi-objective optimization algorithms and one classical clustering algorithm on evaluation indexes of datasets. To further verify the effectiveness and feasibility of designed strategies in DC-MPBFOLA, variants of DC-MPBFOLA are also proposed. Experimental results demonstrate that DC-MPBFOLA outperforms its competitors regarding all evaluation indexes and clustering partitions. These results also indicate that the designed strategies positively influence the performance improvement of the original BFO.

Keywords: data clustering, multi-objective optimization, bacterial foraging optimization, learning archives

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Authors: Sonam Chorol, Sharvan Kumar, Pritam Mukhopadhyay

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In biology, supramolecular systems require the use of chemical fuels to stay in sustained nonequilibrium steady states termed dissipative self-assembly in contrast to synthetic self-assembly. Biomimicking these natural dynamic systems, some studies have demonstrated artificial self-assembly under nonequilibrium utilizing various forms of energies (fuel) such as chemical, redox, and pH. Naphthalene diimides (NDIs) are well-known organic molecules in supramolecular architectures with high electron affinity and have applications in controlled electron transfer (ET) reactions, etc. Herein, we report the endergonic ET from tetraphenylborate to highly electron-deficient phosphonium NDI²+ dication to generate NDI•+ radical. The formation of radicals was confirmed by UV-Vis-NIR absorption spectroscopy. Electron-donor and electron-acceptor energy levels were calculated from experimental electrochemistry and theoretical DFT analysis. The HOMO of the electron donor locates below the LUMO of the electro-acceptor. This indicates that electron transfer is endergonic (ΔE°ET = negative). The endergonic ET from NaBPh₄ to NDI²+ dication was achieved thermodynamically by the formation of coupled biphenyl product confirmed by GC-MS analysis. NDI molecule bearing octyl phosphonium at the core and H-bond forming imide moieties at the axial position forms a gel. The rheological properties of purified radical ion NDI⦁+ gels were evaluated. The atomic force microscopy studies reveal the formation of large branching-type networks with a maximum height of 70-80 nm. The endergonic ET from NaBPh₄ to NDI²+ dication was used to design the assembly and disassembly redox reaction cycle using reducing (NaBPh₄) and oxidizing agents (Br₂) as chemical fuels. A part of NaBPh₄ is used to drive assembly, while a fraction of the NaBPh₄ is dissipated by forming a useful product. The system goes back to the disassembled NDI²+ dication state with the addition of Br₂. We think bioinspired dissipative self-assembly is the best approach to developing future lifelike materials with autonomous behavior.

Keywords: Ionic-gel, redox-cycle, self-assembly, useful product

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Authors: Mei Hong, Wei Liu, Xuemin Dai, Yanxiong Pan, Xiangling Ji

Abstract:

Polyamic acid (PAA) is the precursor of polyimide (PI) prepared by a two-step method, its molecular weight and molecular weight distribution not only play an important role during the preparation and processing, but also influence the final performance of PI. However, precise characterization on molecular weight of PAA is still a challenge because of the existence of very complicated interactions in the solution system, including the electrostatic interaction, hydrogen bond interaction, dipole-dipole interaction, etc. Thus, it is necessary to establisha suitable strategy which can completely suppress these complex effects and get reasonable data on molecular weight. Herein, the gel permeation chromatography (GPC) coupled with differential refractive index (RI) and multi-angle laser light scattering (MALLS) detectors were applied to measure the molecular weight of (6FDA-DMB) PAA using different mobile phases, LiBr/DMF, LiBr/H3PO4/THF/DMF, LiBr/HAc/THF/DMF, and LiBr/HAc/DMF, respectively. It was found that combination of LiBr with HAc can shield the above-mentioned complex interactions and is more conducive to the separation of PAA than only addition of LiBr in DMF. LiBr/HAc/DMF was employed for the first time as a mild mobile phase to effectively separate PAA and determine its molecular weight. After a series of conditional experiments, 0.02M LiBr/0.2M HAc/DMF was fixed as an optimized mobile phase to measure the relative and absolute molecular weights of (6FDA-DMB) PAA prepared, and the obtained Mw from GPC-MALLS and GPC-RI were 35,300 g/mol and 125,000 g/mol, respectively. Particularly, such a mobile phase is also applicable to other PAA samples with different structures, and the final results on molecular weight are also reproducible.

Keywords: Polyamic acids, Polyelectrolyte effects, Gel permeation chromatography, Mobile phase, Molecular weight

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Authors: V. Pérez-Herranz, M. Pinel, E. M. Ortega, M. García-Gabaldón

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In the present work, Electrochemical Impedance Spectrocopy (EIS) is applied to study the transport of different metal cations through a cation-exchange membrane. This technique enables the identification of the ionic-transport characteristics and to distinguish between different transport mechanisms occurring at different current density ranges. The impedance spectra are dependent on the applied dc current density, on the type of cation and on the concentration. When the applied dc current density increases, the diameter of the impedance spectra loops increases because all the components of membrane system resistance increase. The diameter of the impedance plots decreases in the order of Na(I), Ni(II) and Cr(III) due to the increased interactions between the negatively charged sulfonic groups of the membrane and the cations with greater charge. Nyquist plots are shifted towards lower values of the real impedance, and its diameter decreases with the increase of concentration due to the decrease of the solution resistance.

Keywords: ion-exchange membranes, Electrochemical Impedance Spectrocopy, multivalent metal cations, membrane system

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