Search results for: heterogeneous catalysts

Authors: Yuxuan Huang, Weixin Qian, Hongfang Ma, Haitao Zhang, Weiyong Ying

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Light olefins are important building blocks for chemical industry. Direct conversion of syngas to light olefins has been investigated for decades. Meanwhile, the limit for light olefins selectivity described by Anderson-Schulz-Flory (ASF) distribution model is still a great challenge to conventional Fischer-Tropsch synthesis. The emerging strategy called oxide-zeolite concept (OX-ZEO) is a promising way to get rid of this limit. ZnCrO_x was prepared by co-precipitation method and (NH₄)₂CO₃ was used as precipitant. SAPO-34 was prepared by hydrothermal synthesis, and Tetraethylammonium hydroxide (TEAOH) was used as template, while silica sol, pseudo-boehmite, and phosphoric acid were Al, Si and P source, respectively. The bifunctional catalyst was prepared by mechanical mixing of ZnCrO_x and SAPO-34. Catalytic reactions were carried out under H₂/CO=2, 380 ℃, 1 MPa and 6000 mL·g_cat^-1·h^-1 in a fixed-bed reactor with a quartz lining. Catalysts were characterized by XRD, N₂ adsorption-desorption, NH₃-TPD, H₂-TPR, and CO-TPD. The addition of Al as structure promoter enhances CO conversion and selectivity to light olefins. Zn/Cr ratio, which decides the active component content and chemisorption property of the catalyst, influences CO conversion and selectivity to light olefins at the same time. C_2-4⁼ distribution of 86% among hydrocarbons at CO conversion of 14% was reached when Zn/Cr=1.5.

Keywords: light olefins, OX-ZEO, Syngas, ZnCrOₓ

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Authors: Peter J. H. Carnell, Panayiotis Theophanous

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Natural gas due to its cleaner combustion characteristics is expected to be the most widely used fuel in the move towards less polluting and renewable energy sources. Thus, the developed world is supplied by a complex network of gas pipelines and natural gas is becoming a major source of fuel. Natural gas delivered directly from the well will differ in composition from gas derived from LNG or produced by anaerobic digestion processes. Each will also have specific contaminants and properties although gas from all sources is likely to enter the distribution system and be blended to provide the desired characteristics such as Higher Heating Value and Wobbe No. The absence of a standard gas composition poses problems when the gas is used as a chemical feedstock, in specialised furnaces or on gas turbines. The chemical industry has suffered in the past as a result of variable gas composition. Transition metal catalysts used in ammonia, methanol and hydrogen plants were easily poisoned by sulphur, chlorides and mercury reducing both activity and catalyst expected lives from years to months. These plants now concentrate on purification and conditioning of the natural gas feed using fixed bed technologies, allowing them to run for several years and having transformed their operations. Similar technologies can be applied to the power industry reducing maintenance requirements and extending the operating life of gas turbines.

Keywords: gas composition, gas conditioning, gas turbines, power generation, purification

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Authors: Zorana Z. Jurinjak, Nataša B. Lukić, Christos G. Alexopoulos

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Although in the last few decades, English as a foreign language has been a compulsory subject in almost all colleges and universities in Serbia, students who enter the first year come with different levels of knowledge, which is immense task and a burden on teachers not only which literature and how to conduct classes in heterogeneous groups but also how to evaluate and assess the progress.This paper aims to discuss the issue of determining the target level of knowledge of English as a foreign language in higher education in Serbia due to the great need for these levels to equalize. The research was conducted at several colleges and universities where first-year students took a placement test, and we also carried out a review and comparison of the literature used in teaching English in those schools. We hope that this research will not only raise the awareness of those in charge when making curriculums, but also that ways will be found to assimilate these differences in knowledge and establish the criteria in assessment.

Keywords: higher education, EFL, levels of knowledge, evaluation, assessment

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Authors: Bohli Afef

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The fifth-generation (5G) wireless systems is featured by extreme densities of cell stations to overcome the higher future demand. Hence, interference management is a crucial challenge in 5G ultra-dense cellular networks. In contrast to the classical inter-cell interference coordination approach, which is no longer fit for the high density of cell-tiers, this paper proposes a novel virtual coordination based on the dynamic common cognitive monitor channel protocol to deal with the inter-cell interference issue. A tractable and flexible model for the coverage probability of a typical user is developed through the use of the stochastic geometry model. The analyses of the performance of the suggested protocol are illustrated both analytically and numerically in terms of coverage probability.

Keywords: ultra dense heterogeneous networks, dynamic common channel protocol, cognitive radio, stochastic geometry, coverage probability

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Authors: Ichiro Takahashi

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One conundrum that macroeconomic theory faces is to explain how an economy can revive from depression, in which the aggregate demand has fallen substantially below its productive capacity. This paper examines an autonomous stabilizing mechanism using an agent-based Wicksell-Keynes macroeconomic model. This paper focuses on the effects of the number of firms and the length of the gestation period for investment that are often assumed to be one in a mainstream macroeconomic model. The simulations found the virtual economy was highly unstable, or more precisely, collapsing when these parameters are fixed at one. This finding may even suggest us to question the legitimacy of these common assumptions. A perpetual decline in capital stock will eventually encourage investment if the capital stock is short-lived because an inactive investment will result in insufficient productive capacity. However, for an economy characterized by a roundabout production method, a gradual decline in productive capacity may not be able to fall below the aggregate demand that is also shrinking. Naturally, one would then ask if our economy cannot rely on an external stimulus such as population growth and technological progress to revive investment, what factors would provide such a buoyancy for stimulating investments? The current paper attempts to answer this question by employing the artificial macroeconomic model mentioned above. The baseline model has the following three features: (1) the multi-period gestation for investment, (2) a large number of heterogeneous firms, (3) demand-constrained firms. The instability is a consequence of the following dynamic interactions. (a) A multiple-period gestation period means that once a firm starts a new investment, it continues to invest over some subsequent periods. During these gestation periods, the excess demand created by the investing firm will spill over to ignite new investment of other firms that are supplying investment goods: the presence of multi-period gestation for investment provides a field for investment interactions. Conversely, the excess demand for investment goods tends to fade away before it develops into a full-fledged boom if the gestation period of investment is short. (b) A strong demand in the goods market tends to raise the price level, thereby lowering real wages. This reduction of real wages creates two opposing effects on the aggregate demand through the following two channels: (1) a reduction in the real labor income, and (2) an increase in the labor demand due to the principle of equality between the marginal labor productivity and real wage (referred as the Walrasian labor demand). If there is only a single firm, a lower real wage will increase its Walrasian labor demand, thereby an actual labor demand tends to be determined by the derived labor demand. Thus, the second positive effect would not work effectively. In contrast, for an economy with a large number of firms, Walrasian firms will increase employment. This interaction among heterogeneous firms is a key for stability. A single firm cannot expect the benefit of such an increased aggregate demand from other firms.

Keywords: agent-based macroeconomic model, business cycle, demand constraint, gestation period, representative agent model, stability

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Authors: Kerem Can Dizdar, Semih Ateş, Ozan Güler, Gökhan Basman, Derya Dışpınar, Cevat Fahir Arısoy

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Grain refinement and obtaining homogeneous microstructure is the key parameter in casting of aluminum alloys. Ti has been traditionally used as grain refiner, however, inconsistency and heterogeneous dendrite arms, as well as fading efficiency, have been the drawbacks of Ti. Alternatively, Nb (Niobium) has gained attention. In this work, the effect of Nb was investigated in case of both as cast and T6 heat treated conditions. Different ratios of Nb (0.0, 0.03, 0.05, 0.07, 0.1 weight%) were added to AlSi11 alloy, mechanical properties were examined statistically, and relationship was established between microstructure and mechanical properties by examining the grain size and dendrite characteristics before and after heat treatment. Results indicate that in the case of as cast state; with the increasing addition of Nb has no significant effect on yield strength, however, it increases the tensile strength and elongation starting with 0.05wt% ratio, and it remains constant up to 0.1wt%. For the heat-treated condition; Nb addition provides increment at yield strength and tensile strength up to 0.05wt%, but it leads to decrementfrom 0.05 to 0.1wt%. The opposite is valid for the elongation; It decreases in between 0-0.05wt% then rises in range of 0.05-0.1wt%. Highest yield strength and ultimate tensile strength were found T6 heat treated 0.05wt% Nb addition. 0.05wt% was found as critical Nbaddition ratio for mechanical properties of Al-11Si alloys. Grain refinement and obtaining homogeneous microstructure is the key parameter in casting of aluminum alloys. Ti has been traditionally used as grain refiner, however, inconsistency and heterogeneous dendrite arms, as well as fading efficiency, have been the drawbacks of Ti. Alternatively, Nb (Niobium) has gained attention. In this work, the effect of Nb was investigated in case of both as cast and T6 heat treated conditions. Different ratios of Nb (0.0, 0.03, 0.05, 0.07, 0.1 weight%) were added to AlSi11 alloy, mechanical properties were examined statistically, and relationship was established between microstructure and mechanical properties by examining the grain size and dendrite characteristics before and after heat treatment. Results indicate that in the case of as cast state; with the increasing addition of Nb has no significant effect on yield strength, however, it increases the tensile strength and elongation starting with 0.05wt% ratio, and it remains constant up to 0.1wt%. For the heat-treated condition; Nb addition provides increment at yield strength and tensile strength up to 0.05wt%, but it leads to decrement from 0.05 to 0.1wt%. The opposite is valid for the elongation; It decreases in between 0-0.05wt% then rises in range of 0.05-0.1wt%. Highest yield strength and ultimate tensile strength were found T6 heat treated 0.05wt% Nb addition. 0.05wt% was found as critical Nbaddition ratio for mechanical properties of Al-11Si alloys.

Keywords: al-si alloy, grain refinement, heat treatment, mechanical properties, microstructure, niobium, sand casting

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Authors: Aliyu Aminu Baba

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Ethnic entrepreneurship is defined as a set of connections and regular patterns of interaction among people sharing common national background or migration experience. The disadvantage faced by ethnic minority on paid labour induced them to become self-employed. Also, enclaves motivates trading, creativity, innovation are all to provide specific service or products to certain people. These ethnic minorities are African –Caribbean, Indians, Pakistanis, Banghaladashi and Chinese. For policy development ethnic diversity was among the problem of developing policy in United Kingdom. The study finds that there is a danger in treating all ethnic minority businesses as homogeneous rather than heterogeneous. The diversity is due to religious beliefs, culture and race. This indicates that there is a wide range have shortfall in addressing the peculiarities of ethnic minority businesses in policy formulation. Also, there are differences between ethnic minorities in accessing finance. It is recommended that diversity and peculiarities between ethnic minorities should be considered in policy formulation.

Keywords: ethnic entrepreneurship, finance, policy implication, diversity

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Authors: Asyraf Abdul Halim, Mohd Edil Abd Sukor, Obiyathulla Ismath Bacha

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This paper attempts to investigate the capital structure behavior of Shariah compliant firms of various levels as well those firms who are consistently Shariah non-compliant in Malaysia. The paper utilizes a unique dataset of firms of the heterogeneous level of Shariah-compliancy status over a 20 year period from the year 1997 to 2016. The paper focuses on the effects of dynamic forces behind capital structure variation such as the optimal capital structure behavior based on the trade-off, pecking order, market timing and firmly fixed effect models of capital structure. This study documents significant evidence in support of the trade-off theory with a high speed of adjustment (SOA) as well as for the time-invariant firm fixed effects across all Shariah compliance group.

Keywords: capital structure, market timing, trade-off theory, equity risk premium, Shariah-compliant firms

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Authors: Sabrina Tabassum

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Using Census Data for Housing and Population of Australia 2001, 2006, 2011, and 2016, this paper shows the existence of wage differences between natives and immigrants in Australia. Addressing the heterogeneous nature of immigrants, this study group the immigrants in three broad categories- migrants from English speaking countries and migrants from India and China. Migrants from English speaking countries and India earn more than the natives per week, whereas migrants from China earn far less than the natives per week. Oaxaca decomposition suggests that major part of this differential is unexplained. Using the occupational segregation concept and Brown decomposition, this study indicates that migrants from India and China would have been earned more than the natives if they had the same occupation distribution as natives due to their individual characteristics. Within occupation, wage differences are more prominent than inter-occupation wage differences for immigrants from China and India.

Keywords: Australia, labour, migration, wage

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Authors: Selena Gutiérrez, Araceli Martínez

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One of the most important challenges worldwide, scientific and technological, is to have a sustainable energy source; friendly to the environment and widely available. Currently, the 85% of the energy used comes from the fossil sources. Another important environmental problem is that several rubber products (tires, gloves, hoses, among others) are discarded practically without any treatment. In nature, the degradation of such products will take at least 500 years. In 2009, the worldwide rubber production was about 23.6 million tons. In order to solve this problems, our research focus in an alternative synthesis of biofuels in a two-step approach: The metathesis degradation of industrial rubber (models of rubber waste), and the oligomers transesterification. Thus, cis-1,4-polybutadiene (Mn= 9.1x105, Mw/Mn= 2.2) and styrene-butadiene block copolymers with 30% (Mn= 1.61x105; Mw/Mn= 1.3) and 21% wt styrene (Mn= 1.92x105; Mw/Mn= 1.4) were degraded via metathesis with soybean oil as chain transfer agent (CTA) and green solvent; using [(PCy3)2Cl2Ru=CHPh] and [(1,3-diphenyl-4,5-dihydroimidazol-2-ylidene)(PCy3)Ru=CHPh] catalysts. Afterwards, the products were transesterified by basic homogeneous catalysis. Before transesterification, the polystyrene microblocks (Mn= 16,761; Mw/Mn= 1.2) were isolated. Finally, the biofuels obtained (BO) were purified, characterized and showed similar properties to standards biodiesel (SB) (Norms: EN 14214-03 and ASTM D6751-02), i.e. (SB / BO): molecular weight [Daltons] (570 / 543-596), density [g/cm3] (0.86-0.90 / 0.88), kinematic viscosity [mm2/s] (1.90-6.0 / 3.5-4.5), iodine (97 / 97-98) and cetane number (Min.47 / 56-58).

Keywords: biofuels, industrial rubber, metathesis, vegetable oils

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Authors: Susana Barreto

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This paper explores a pedagogical exercise that employs family photos as catalysts for teaching visual analysis and inspiring academic writing among MA students. The study aimed to achieve two primary objectives: to impart students with the skills of analyzing images or artifacts and to ignite their writing for research purposes. Conducted at Viana Polytechnic in Portugal, the exercise involved two classes on Arts Management and Art Education Master course comprising approximately twenty students from diverse academic backgrounds, including Economics, Design, Fine Arts, and Sociology, among others. The exploratory exercise involved selecting an old family photo, analyzing its content and context, and deconstructing the chosen images in an intuitive and systematic manner. Students were encouraged to engage in photo elicitation, seeking insights from family/friends to gain multigenerational perspectives on the images. The feedback received from this exercise was consistently positive, largely due to the personal connection students felt with the objects of analysis. Family photos, with their emotional significance, fostered deeper engagement and motivation in the learning process. Furthermore, visual analysing family photos stimulated critical thinking as students interpreted the composition, subject matter, and potential meanings embedded in the images. This practice enhanced their ability to comprehend complex visual representations and construct compelling visual narratives, thereby facilitating the writing process. The exercise also facilitated the identification of patterns, similarities, and differences by comparing different family photos, leading to a more comprehensive analysis of visual elements and themes. Throughout the exercise, students found analyzing their own photographs both enjoyable and insightful. They progressed through preliminary analysis, explored content and context, and artfully interwove these components. Additionally, students experimented with various techniques such as converting photos to black and white, altering framing angles, and adjusting sizes to unveil hidden meanings.The methodology employed included observation, documental analysis of written reports, and student interviews. By including students from diverse academic backgrounds, the study enhanced its external validity, enabling a broader range of perspectives and insights during the exercise. Furthermore, encouraging students to seek multigenerational perspectives from family and friends added depth to the analysis, enriching the learning experience and broadening the understanding of the cultural and historical context associated with the family photos Highlighting the emotional significance of these family photos and the personal connection students felt with the objects of analysis fosters a deeper connection to the subject matter. Moreover, the emphasis on stimulating critical thinking through the analysis of composition, subject matter, and potential meanings in family photos suggests a targeted approach to developing analytical skills. This improvement focuses specifically on critical thinking and visual analysis, enhancing the overall quality of the exercise. Additionally, the inclusion of a step where students compare different family photos to identify patterns, similarities, and differences further enhances the depth of the analysis. This comparative approach adds a layer of complexity to the exercise, ultimately leading to a more comprehensive understanding of visual elements and themes. The expected results of this study will culminate in a set of practical recommendations for implementing this exercise in academic settings.

Keywords: visual analysis, academic writing, pedagogical exercise, family photos

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Authors: Littlelet N. Scarlet, Kamaluddin Abdur-Rashid, Paul T. Maragh, Tara Dasgupta

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Aminophosphines are a privileged class of ancillary ligands with emerging importance in homogeneous catalysis. The unique combination of soft phosphorus (P) and hard nitrogen (N) centres affords a variety of transition metal complexes as potential pre-catalysts for synthetically useful reactions. Herein three ligand systems will be reported; two bidentate ligands - (S)-8-(diphenyl-phosphino)-1,2,3,4-tetrahydronaphthalen-1-amine, (S)THNANH2, and (Rc)-1-((Sp)-2-diphenylphosphino) ferrocenylethylamine, (RcSp)PPFNH2 - and a tridentate (Rc)-1-((Sp)-2-diphenylphosphino) ferrocenylimino-pyridine, (RcSp)PPFNNH2 ligand; the latter prepared from the condensation of selected ferrocene aminophosphines with pyridine-2-carboxaldehyde. Suitable combinations of these aminophosphine ligands with ruthenium precursors have afforded highly efficient systems for the asymmetric hydrogenation and transfer hydrogenation of selected ketones in 2-propanol. The Ru-(S)THNANH2 precatalyst was the most efficient in the asymmetric hydrogenation of selected ketones with 100% conversions within 4 hours at a catalyst loading of 0.1 mol%. The Ru-(RcSp)PPFNNH2 precatalyst was the most efficient in the asymmetric transfer hydrogenation of the ketones with conversions as high as 98% with 0.1 mol% catalyst. However, the enantioselectivities were generally low.

Keywords: aminophosphine, asymmetric hydrogenation, homogeneous catalysis, ruthenium (II), transfer hydrogenation

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Authors: Heri Kuswanto, Brina Miftahurrohmah, Fatkhurokhman Fauzi

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Southeast Asia has experienced rising temperatures and is predicted to reach a 1.5°C increase by 2030, which is earlier than the Paris Agreement target. Solar Radiation Management (SRM) has been proposed as an alternative to combat global warming. This research investigates changes in the annual maximum temperature (TXx) with and without SRM over southeast Asia. We examined outputs from three ensemble members of the Geoengineering Large Ensemble Project (GLENS) experiment for the period 2051 to 2080. One ensemble member generated outputs that significantly deviated from the others, leading to the removal of ensemble 3 from the impact analysis. Our observations indicate that the magnitude of TXx changes with SRM is heterogeneous across countries. We found that SRM significantly reduces TXx levels compared to historical periods. Furthermore, SRM can reduce temperatures by up to 5°C compared to scenarios without SRM, with even more pronounced effects in Thailand, Cambodia, Laos, and Myanmar. This indicates that SRM can mitigate climate change by lowering future TXx levels.

Keywords: solar radiation management, GLENS, extreme, temperature, ensemble

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Authors: Gyo Woo Lee, Man Young Kim

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Emission regulations for diesel engines are being strengthened and it is impossible to meet the standards without exhaust after-treatment systems. Lack of the space in many diesel vehicles, however, make it difficult to design and install stand-alone catalytic converters such as DOC, DPF, and SCR in the vehicle exhaust systems. Accordingly, those have been installed inside the muffler to save the space, and referred to the catalytic muffler. However, that has complex internal structure with perforated plate and pipe for noise and monolithic catalyst for emission reduction. For this reason, flow uniformity and pressure drop, which affect efficiency of catalyst and engine performance, respectively, should be examined when the catalytic muffler is designed. In this work, therefore, the flow uniformity and pressure drop to improve the performance of the catalytic converter and the engine have been numerically investigated by changing various design parameters such as inlet shape, porosity, and outlet shape of the muffler using the three-dimensional turbulent flow of the incompressible, non-reacting, and steady state inside the catalytic muffler. Finally, it can be found that the shape, in which the muffler has perforated pipe inside the inlet part, has higher uniformity index and lower pressure drop than others considered in this work.

Keywords: catalytic muffler, perforated inlet cone, catalysts, perforated pipe, flow uniformity, pressure drop

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Authors: Darren Zou

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Forecasting the stock market is a very challenging task. Various economic indicators such as GDP, exchange rates, interest rates, and unemployment have a substantial impact on the stock market. Time series models are the traditional methods used to predict stock market changes. In this paper, a machine learning method, Bayesian Additive Regression Tree (BART) is used in predicting stock market indexes based on multiple economic indicators. BART can be used to model heterogeneous treatment effects, and thereby works well when models are misspecified. It also has the capability to handle non-linear main effects and multi-way interactions without much input from financial analysts. In this research, BART is proposed to provide a reliable prediction on day-to-day stock market activities. By comparing the analysis results from BART and with time series method, BART can perform well and has better prediction capability than the traditional methods.

Keywords: BART, Bayesian, predict, stock

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Authors: Allamula Ashok, Peela Lasya, Daljin Jacob, P. Muhammed Razi, Satyesh Kumar Yadav

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We report zinc (Zn) as a seed layer material and a need for a specific disposition sequence to grow ultrathin silver (Ag) films on quartz (SiO₂). Ag films of thickness 4, 6, 8 and 10 nm were deposited by DC magnetron sputtering without and with Zn seed layer thickness of 1, 2 and 4 nm. The effect of Zn seed layer thickness and its annealing on the surface morphology, sheet resistance, and stability of ultrathin Ag films is investigated. We show that by increasing Zn seed layer thickness from 1 to 2 nm, there is a 5-order reduction in sheet resistance of 6 nm Ag films. We find that annealing of the seed layer is crucial to achieving stability of ultrathin Ag films. 6 nm Ag film with 2 nm Zn is unstable to 100 oC annealing, while the 6 nm Ag film with annealed 2 nm Zn seed layer is stable. 2 nm Zn seeded 8 nm Ag film maintained a constant sheet resistance of 7 Ω/□ for all 6 months of exposure to ambient conditions. Among the ultrathin film grown, 8nm Ag film with 2nm Zn seed layer had the best figure of merit with sheet resistance of 7 Ω/□, mean absolute surface roughness (Ra) ~1 nm, and optical transparency of 61 %. Such stable exposed ultrathin Ag films can find applications as catalysts, sensors, and transparent and conductive electrodes for solar cells, LEDs and plasmonic devices.

Keywords: ultrathin Ag films, magnetron sputtering, thermal stability, seed layer, exposed silver, zinc.

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Authors: Orestis Kasinopoulos, Maria Karekla, Vasilis Vasiliou, Evangelos Karademas

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Acceptance and Commitment Therapy (ACT) is an empirically supported intervention for treating Chronic Pain Patients, yet its effectiveness for some chronic conditions or when adapted to other languages, has not been explored. An ACT group intervention was designed to explore the effectiveness of treating a Greek speaking heterogeneous sample of Chronic Pain patients with the aim of increasing quality of life, acceptance of pain and functionality. Sixty-nine patients were assessed and randomly assigned to an ACT or control group (relaxation techniques) for eight, 90-minute, sessions. Results are currently being analysed and follow-ups (6 and 12 month) are being completed. Low adherence rates and high attrition rates observed in the study, however point to the direction of future modified interventions. Such modifications may include web-based and smartphone interventions and their benefits in being implemented in chronic pain patients.

Keywords: chronic pain, ACT, internet-delivered, digitalised intervention, adherence, attrition

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Authors: B. Benalioua, I. Benyamina, M. Mansour, A. Bentouami, B. Boury

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The objective of this study is based on the synthesis of a new photocatalyst based on TiO2 and its application in the photo-degradation of an acid dye under the visible light. The material obtained was characterized by XRD, BET and UV- vis DRS. The photocatalytic efficiency of the Zn -Fe TiO2 treated at 500°C was tested on the Indigo Carmine under the irradiation of visible light and compared with that of the commercial titanium oxide TiO2-P25 (Degussa). The XRD characterization of the material Zn-Fe-TiO2 (500°C) revealed the presence of the anatase phase and the absence of the Rutile phase in comparison of the TiO2 P25 diffractogram. Characterization by UV-visible diffuse reflection material showed that the Fe-Zn-TiO2 exhibits redshift (move visible) relative to commercial titanium oxide TiO2-P25, this property promises a photocatalytic activity of Zn -Fe- TiO2 under visible light. Indeed, the efficiency of photocatalytic Fe-Zn-TiO2 as a visible light is shown by a complete discoloration of indigo carmine solution of 16 mg/L after 40 minutes, whereas with the P25-TiO2 discoloration is achieved after 90 minutes.

Keywords: POA, heterogeneous photocatalysis, TiO2, doping

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Authors: Su-Ning Wang, Yao-Qiang Chen

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The CeO2-ZrO2-La2O3-Al2O3 composite oxides are synthesized using co-precipitation method by two different reactors (i.e. continuous stirred-tank reactor and batch reactor), and the corresponding Rh-only three-way catalysts are obtained by wet-impregnation approach. The textural, structural, morphology and redox properties of the support materials, as well as the catalytic performance of the Rh-only catalyst are investigated systematically. The results reveal that the materials (CZLA-C) synthesized by continuous stirred-tank reactor have a better physic-chemical properties than the counterpart material (CZLA-B) prepared by batch reactor. After aging treatment at 1000 ℃ for 5 h, the BET surface area and pore volume of S1 reach up to 76 m2 g-1 and 0.36 mL/g, respectively, which is higher than that of S2. The XRD and Raman results demonstrate that a high structural stability is obtained by S1 because of the negligible lattice variation and the slight grain growth after aging treatment. The SEM and TEM images display that the morphology of S1 is assembled by many homogeneous primary nanoparticles (about 6.12 nm) that are connected to form mesoporous structure The TPR measurement shows that S1 possesses a higher reduction ability than S2. Compared with the catalyst supported on the CZLA-B, the as-prepared CZLA-C demonstrates an improved three-way catalytic activity both before and after aging treatment.

Keywords: composite oxides, reactor, catalysis, catalytic performance

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Authors: Oleg Oborin

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This paper is dedicated to the development of the model, which can be used to evaluate the effectiveness of long-term corporate strategies and identify the best strategies. The theoretical model of the relatively homogenous product market (such as iron and steel industry, mobile services or road transport) has been developed. In the model, the market consists of a large number of companies with different internal characteristics and objectives. The companies can perform mergers and acquisitions in order to increase their market share. The model allows the simulation of long-time dynamics of the market (for a period longer than 20 years). Therefore, a large number of simulations on random input data was conducted in the framework of the model. After that, the results of the model were compared with the dynamics of real markets, such as the US steel industry from the beginning of the XX century to the present day, and the market of mobile services in Germany for the period between 1990 and 2015.

Keywords: Economic Modelling, Long-Time Strategy, Mergers and Acquisitions, Simulation

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Authors: Prathap S. Raghavendra, Mohamed S. Z. Shamshuddin, Thimmaraju N. Venkatesh

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The transesterification of dimethyl malonate (DMM) with phenol has been studied in vapour phase over cordierite honeycomb coated with solid acid catalysts such as ZrO2,Mo(VI)/ZrO2 and SO42-/ZrO2. The catalytic materials were prepared honeycomb coated and powder forms and characterized for their total surface acidity by NH3-TPD and crystalinity by powder XRD methods. Phenyl methyl malonate (PMM) and diphenyl malonate (DPM) were obtained as the reaction products. A good conversion of DMM (up to 82%) of MPM with 95% selectivity was observed when the reactions were carried out at a catalyst bed temperature of 200 °C and flow-rate of 10 mL/h in presence of Mo(VI)/ZrO2 as catalyst. But over SO42-/ZrO2 catalyst, the yield of DPM was found to be higher. The results have been interpreted based on the variation of acidic properties and powder XRD phases of zirconia on incorporation of Mo(VI) or SO42– ions. Transesterification reactions were also carried out over powder forms of the catalytic materials and the yield of the desired phenyl ester products were compared with that of the HC coated catalytic materials. The solid acids were found to be reusable when used for at least 5 reaction cycles.

Keywords: cordierite honeycomb, methyl phenyl malonate, vapour phase transesterification, zirconia

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Authors: Keo Mbebe

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The South African Truth and Reconciliation Commission (TRC) is widely regarded as a blueprint for countries seeking to transcend the atrocities of their past and create a new human rights-based administration. The aim of these societies is to establish historical truth. Within the TRC, the aspects of truth-finding and truth-telling were considered to be catalysts for national unity and reconciliation. Truth-seeking, in addition, was mandated in the Promotion of National Unity and Reconciliation Act (TRC Act), which is the legislation behind the TRC. However, there is an incongruency between the conception of truth outlined in the Act, and the conception of truth explained in the Report of the TRC proceedings. The aim of this paper is to delineate these two kinds of “truth” and to critically analyze them. Doing so, it will then be evident in the discussion that there is a need for substantial clarity in the conception of truth used in transitional justice settings based on truth-finding and truth-seeking, and the paper will present ways in which such clarity may be achieved. The paper will begin with a philosophical engagement on the notion of historical truth used by the TRC legislation. Thereafter, the historical background to the political context in which the TRC Act was mandated will be provided. The next section would then be a sketch of the conceptions of historical truth and historical injustice in the Act, as well as its supporting documents. Lastly, it will be argued that the subversion of the TRC’s mandate to promote reconciliation and national unity by bringing to light past human rights violations during apartheid is betrayed by its amorphous conception of historical truth.

Keywords: historical truth, human rights, transitional justice, truth commission

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Authors: Wenlong Liu, Ru Zhang, Wangjie Li, Shenghui Sang

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The boom of smart cities in the age of population aging has caused concerns about the subjective well-being of the elderly. By employing the data from China Health and Retirement Longitudinal Study (CHARLS) 2015, this study uses an ordinary least square to analyze the influence of smart city development on the subjective well-being of the elderly in China. The results of this study suggest that smart cities will improve the life satisfaction of the elderly but reduce their happiness of them. In terms of the moderating effect, social capital negatively moderates the impact of the smart city on the subjective well-being of the elderly. Combined with the results of heterogeneous analysis, it is found that smart city has a stronger impact on the subjective well-being of the elderly with lower levels of personal social capital. To sum up, in the context of the country's vigorous promotion of smart city development, society and families should actively help the elderly to improve their social capital level, enhance the subjective well-being of the elderly, and alleviate the negative effects of smart city development, thereby improving the quality of life of the elderly.

Keywords: the elderly, smart city, social capital, subjective well-being

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Authors: Malika Yaici, Assia Arab, Betitra Yakouben, Samia Zermani

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Ubiquitous computing is nowadays a reality through the networking of a growing number of computing devices. It allows providing users with context aware information and services in a heterogeneous environment, anywhere and anytime. Selection of the best context-aware service, between many available services and providers, is a tedious problem. In this paper, a service selection method based on Constraint Satisfaction Problem (CSP) formalism is proposed. The services are considered as variables and domains; and the user context, preferences and providers characteristics are considered as constraints. The Backtrack algorithm is used to solve the problem to find the best service and provider which matches the user requirements. Even though this algorithm has an exponential complexity, but its use guarantees that the service, that best matches the user requirements, will be found. A comparison of the proposed method with the existing solutions finishes the paper.

Keywords: ubiquitous computing, services selection, constraint satisfaction problem, backtrack algorithm

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Authors: Nanxi Miao, Junjie Wang

Abstract:

The discovery of 2D materials with distinct compositions and properties has been a research aim since the report of graphene. One of the latest members of the 2D material family is MXene, which is produced from the topochemical deintercalation of the A layer from a laminate MAX phase. Recently, analogous 2D MBenes (transitional metal borides) have been predicted by theoretical calculations as excellent alternatives in applications such as metal-ion batteries, magnetic devices, and catalysts. However, the practical applications of two-dimensional (2D) transition-metal borides (MBenes) have been severely hindered by the lack of accessible MBenes because of the difficulties in the selective etching of traditional ternary MAB phases with orthorhombic symmetry (ort-MAB). Here, we discover a family of ternary hexagonal MAB (h-MAB) phases and 2D hexagonal MBenes (h-MBenes) by ab initio predictions and experiments. Calculations suggest that the ternary h-MAB phases are more suitable precursors for MBenes than the ort-MAB phases. Based on the prediction, we report the experimental synthesis of h-MBene HfBO by selective removal of in from h-MAB Hf2InB2. The synthesized 2D HfBO delivered a specific capacity of 420 mAh g-1 as an anode material in lithium-ion batteries, demonstrating the potential for energy-storage applications. The discovery of this h-MBene HfBO added a new member to the growing family of 2D materials and provided opportunities for a wide range of novel applications.

Keywords: 2D materials, DFT calculations, high-throughput screening, lithium-ion batteries

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Authors: Hanan Begali, Shahi Dost, Annett Ziegler, Markus Cornberg, Maria-Esther Vidal, Anke R. M. Kraft

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Chronic hepatitis B virus (HBV) infection can be treated with nucleot(s)ide analog (NA), for example, which inhibits HBV replication. However, they have hardly any influence on the functional cure of HBV, which is defined by hepatitis B surface antigen (HBsAg) loss. NA needs to be taken life-long, which is not available for all patients worldwide. Additionally, NA-treated patients are still at risk of developing cirrhosis, liver failure, or hepatocellular carcinoma (HCC). Although each patient has the same components of the immune system, immune responses vary between patients. Therefore, a deeper understanding of the immune response against HBV in different patients is necessary to understand the parameters leading to HBV cure and to use this knowledge to optimize HBV therapies. This requires seamless integration of an enormous amount of diverse and fine-grained data from viral markers, e.g., hepatitis B core-related antigen (HBcrAg) and hepatitis B surface antigen (HBsAg). The data integration system relies on the assumption that profiling human immune systems requires the analysis of various variables (e.g., demographic data, treatments, pre-existing conditions, immune cell response, or HLA-typing) rather than only one. However, the values of these variables are collected independently. They are presented in a myriad of formats, e.g., excel files, textual descriptions, lab book notes, and images of flow cytometry dot plots. Additionally, patients can be identified differently in these analyses. This heterogeneity complicates the integration of variables, as data management techniques are needed to create a unified view in which individual formats and identifiers are transparent when profiling the human immune systems. The proposed study (HBsRE) aims at integrating heterogeneous data sets of 87 chronically HBV-infected patients, e.g., clinical data, immune cell response, and HLA-typing, with knowledge encoded in biomedical ontologies and open-source databases into a knowledge-driven framework. This new technique enables us to harmonize and standardize heterogeneous datasets in the defined modeling of the data integration system, which will be evaluated in the knowledge graph (KG). KGs are data structures that represent the knowledge and data as factual statements using a graph data model. Finally, the analytic data model will be applied on top of KG in order to develop a deeper understanding of the immune profiles among various patients and to evaluate factors playing a role in a holistic profile of patients with HBsAg level loss. Additionally, our objective is to utilize this unified approach to stratify patients for new effective treatments. This study is developed in the context of the project “Transforming big data into knowledge: for deep immune profiling in vaccination, infectious diseases, and transplantation (ImProVIT)”, which is a multidisciplinary team composed of computer scientists, infection biologists, and immunologists.

Keywords: chronic hepatitis B infection, immune response, knowledge graphs, ontology

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Authors: Yasser Gaber, Mohamed Ismail, Serena Bisagni, Mohamad Takwa, Rajni Hatti-Kaul

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Enzymes are safe and selective catalysts. They skillfully catalyze chemical reactions; however, the native form is not usually suitable for industrial applications. Enzymes are therefore engineered by several techniques to meet the required catalytic task. Clopidogrel is recorded among the five best selling pharmaceutical in 2010 under the brand name Plavix. The commonly used route for production of the drug on an industrial scale is the synthesis of the racemic mixture followed by diastereomeric resolution to obtain the pure S isomer. The process consumes a lot of solvents and chemicals. We have evaluated a biocatalytic cleaner approach for asymmetric hydrolysis of racemic clopidogrel. Initial screening of a selected number of hydrolases showed only one enzyme EST to exhibit activity and selectivity towards the desired stereoisomer. As the crude EST is a mixture of several isoenzymes, a homology model of EST-1 was used in molecular dynamic simulations to study the interaction of the enzyme with R and S isomers of clopidogrel. Analysis of the geometric hindrances of the tetrahedral intermediates revealed a potential site for mutagenesis in order to improve the activity and the selectivity. Single point mutation showed dramatic increase in activity and inversion of the enantioselectivity (400 fold change in E value).

Keywords: biocatalysis, biotechnology, enzyme, protein engineering, molecular modeling

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Authors: M. A. Hannan, N. Matthias Neisius

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Organophosphorus compound diethyloxymethyl-9-oxa-10-phosphaphenanthrene-10-oxide (DOPAC) was applied on cotton cellulose to impart eco-friendly flame retardant property to it. Here acetal linkage was introduced rather than conventionally used ester linkage to rescue from the undurability problem of flame retardant compound. Some acidic catalysts, sodium dihydrogen phosphate (NaH2PO4), ammonium dihydrogen phosphate (NH4H2PO4) and phosphoric acid (H3PO4) were successfully used to form acetal linkage between the base material and flame retardant compound. Inspiring limiting oxygen index (LOI) value of 22.4 was found after exclusive washing treatment. A good outcome of total heat of combustion (THC) 6.05 KJ/g was found possible during pyrolysis combustion flow calorimetry (PCFC) test of the treated sample. Low temperature dehydration with sufficient amount of char residue (14.89%) was experienced in case of treated sample. In addition, the temperature of peak heat release rate (TPHRR) 343.061°C supported the expected low temperature pyrolysis in condensed phase mechanism. With the consequence of pyrolysis effects, thermogravimetric analysis (TGA) also reported inspiring weight retention% of the treated samples.

Keywords: acetal linkage, char residue, cotton cellulose, flame retardant, loi, low temperature pyrolysis, organophosphorus, THC, THRR

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Authors: Neeraj Kumar Mishra, In Su Kim

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The isoindoline, indazole and indole heterocycles are ubiquitous structural motif found in heterocyclic compounds as they exhibit biological and medicinal applications. For example, isoindoline motif is present in molecules that act as endothelin-A receptor antagonists and dipeptidyl peptidase inhibitors. Moreover, isoindoline derivatives are very crucial constituents in the field of materials science as attractive candidates for organic light-emitting devices. However, compounds containing the indazole motif are known to exhibit to a variety of biological activities, such as estrogen receptor, HIV protease inhibition and anti-tumor activity. The prevalence of indazoles and indoles has led to the development of many useful methods for their preparation. Thus, isoindoline, indazole and indole heterocycles can be new candidates for the next generation of pharmaceuticals. Therefore, the development of highly efficient strategies for the formation of these heterocyclic architectures is an area of great interest in organic synthesis. The past years, transition-metal-catalyzed C−H activation followed by annulation reaction has been frequently used as a powerful tool to construct various heterocycles. Herein, we describe our recent achievements about the transition-metal-catalyzed tandem cyclization reactions of N-benzyltriflamides, 1,2-disubstituted arylhydrazines, acetanilides, etc. via C−H bond activation to access the corresponding bioactive heterocylic scaffolds.

Keywords: biologically active, C-H activation, heterocyclic compounds, transition-metal catalysts

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Authors: Manju Verma, Parag A. Deshpande

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Electronic structure calculations of hydrogen terminated metal-porphyrin graphene were carried out to explore the catalytic activity for CO2 hydration reaction. A ruthenium atom was substituted in place of carbon atom of graphene and ruthenium chelated carbon atoms were replaced by four nitrogen atoms in metal-porphyrin graphene system. Ruthenium atom created the active site for CO2 hydration reaction. Ruthenium-porphyrin graphene followed the mechanism of carbonic anhydrase enzyme for CO2 conversion to HCO3- ion. CO2 hydration reaction over ruthenium-porphyrin graphene proceeded via the elementary steps: OH- formation from H2O dissociation, CO2 bending in presence of nucleophilic attack of OH- ion, HCO3- ion formation from proton migration, HCO3- ion desorption by H2O addition. Proton transfer to yield HCO3- ion was observed as a rate limiting step from free energy landscape.

Keywords: ruthenium-porphyrin graphene, CO2 hydration, carbonic anhydrase, heterogeneous catalyst, density functional theory

Procedia PDF Downloads 262