Search results for: electron emission fluctuation

Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty

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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs, and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine-learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient but not the magnitude. A neural network with two hidden layers were then used to learn the coefficient magnitudes along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.

Keywords: quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction

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Authors: D. P. Evdokimov, A. N. Kirichenko, V. D. Blank, V. N. Denisov, B. A. Kulnitskiy

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In this study we investigated the stability of polyhedral carbon onions under influence of shear deformation and high pressures above 43 GPa by means of by transmission electron microscopy (TEM) and Raman spectroscopy (RS). It was found that at pressures up to 29 GPa and shear deformations of 40 degrees the onions are stable. At shear deformation applying at pressures above 30 GPa carbon onions collapsed with formation of amorphous carbon. At pressures above 43 GPa diamond-like carbon (DLC) was obtained.

Keywords: carbon onions, Raman spectroscopy, transmission electron spectroscopy

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Authors: Cynthia Sau Chun Yip, Richard Fielding

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High meat and especially red meat intakes are significantly and positively associated with a multiple burden of diseases and also high greenhouse gas (GHG) emissions. This study investigated population meat intake patterns in Hong Kong. It quantified the burden of disease and GHG emission outcomes by modeling to adjust Hong Kong population meat intakes to recommended healthy levels. It compared age- and sex-specific population meat, fruit and vegetable intakes obtained from a population survey among adults aged 20 years and over in Hong Kong in 2005-2007, against intake recommendations suggested in the Modelling System to Inform the Revision of the Australian Guide to Healthy Eating (AGHE-2011-MS) technical document. This study found that meat and meat alternatives, especially red meat intakes among Hong Kong males aged 20+ years and over are significantly higher than recommended. Red meat intakes among females aged 50-69 years and other meat and alternatives intakes among aged 20-59 years are also higher than recommended. Taking the 2005-07 age- and sex-specific population meat intake as baselines, three counterfactual scenarios of adjusting Hong Kong adult population meat intakes to AGHE-2011-MS and Pre-2011 AGHE recommendations by the year 2030 were established. Consequent energy intake gaps were substituted with additional legume, fruit and vegetable intakes. To quantify the consequent GHG emission outcomes associated with Hong Kong meat intakes, Cradle-to-ready-to-eat lifecycle assessment emission outcome modelling was used. Comparative risk assessment of burden of disease model was used to quantify the health outcomes. This study found adjusting meat intakes to recommended levels could reduce Hong Kong GHG emission by 17%-44% when compared against baseline meat intake emissions, and prevent 2,519 to 7,012 premature deaths in males and 53 to 1,342 in females, as well as multiple burden of diseases when compared to the baseline meat intake scenario. Comparing lump sum meat intake reduction and outcome measures across the entire population, and using emission factors, and relative risks from individual studies in previous co-benefit studies, this study used age- and sex-specific input and output measures, emission factors and relative risks obtained from high quality meta-analysis and meta-review respectively, and has taken government dietary recommendations into account. Hence evaluations in this study are of better quality and more reflective of real life practices. Further to previous co-benefit studies, this study pinpointed age- and sex-specific population and meat-type-specific intervention points and leverages. When compared with similar studies in Australia, this study also showed that intervention points and leverages among populations in different geographic and cultural background could be different, and that globalization also globalizes meat consumption emission effects. More regional and cultural specific evaluations are recommended to promote more sustainable meat consumption and enhance global food security.

Keywords: burden of diseases, greenhouse gas emissions, Hong Kong diet, sustainable meat consumption

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Authors: S. M. Giripunje, Shikha Jindal

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Zinc sulphide (ZnS) quantum dots (QDs) were synthesized successfully via simple sonochemical method. X-ray diffraction (XRD), scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HRTEM) analysis revealed the average size of QDs of the order of 3.7 nm. The band gap of the QDs was tuned to 5.2 eV by optimizing the synthesis parameters. UV-Vis absorption spectra of ZnS QD confirm the quantum confinement effect. Fourier transform infrared (FTIR) analysis confirmed the formation of single phase ZnS QDs. To fabricate the diode, blend of ZnS QDs and P3HT was prepared and the heterojunction of PEDOT:PSS and the blend was formed by spin coating on indium tin oxide (ITO) coated glass substrate. The diode behaviour of the heterojunction was analysed, wherein the ideality factor was found to be 2.53 with turn on voltage 0.75 V and the barrier height was found to be 1.429 eV. ZnS-Graphene QDs nanocomposite was characterised for the surface morphological study. It was found that the synthesized ZnS QDs appear as quasi spherical particles on the graphene sheets. The average particle size of ZnS-graphene nanocomposite QDs was found to be 8.4 nm. From voltage-current characteristics of ZnS-graphene nanocomposites, it is observed that the conductivity of the composite increases by 10⁴ times the conductivity of ZnS QDs. Thus the addition of graphene QDs in ZnS QDs enhances the mobility of the charge carriers in the composite material. Thus, the graphene QDs, with high specific area for a large interface, high mobility and tunable band gap, show a great potential as an electron-acceptors in photovoltaic devices.

Keywords: graphene, heterojunction, quantum confinement effect, quantum dots(QDs), zinc sulphide(ZnS)

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Authors: Monika Kallubai, Shreya Dubey, Rajagopal Subramanyam

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Our study is all about the biological interactions of synthesized 5β-dihydrocortisol (Dhc) and 5β-dihydrocortisol acetate (DhcA) molecules with carrier protein Human Serum Albumin (HSA). The cytotoxic study was performed on breast cancer cell line (MCF-7) normal human embryonic kidney cell line (HEK293), the IC50 values for MCF-7 cells were 28 and 25 µM, respectively, whereas no toxicity in terms of cell viability was observed with HEK293 cell line. The further experiment proved that Dhc and DhcA induced 35.6% and 37.7% early apoptotic cells and 2.5%, 2.9% late apoptotic cells respectively. Morphological observation of cell death through TUNEL assay revealed that Dhc and DhcA induced apoptosis in MCF-7 cells. The complexes of HSA–Dhc and HSA–DhcA were observed as static quenching, and the binding constants (K) was 4.7±0.03×104 M-1 and 3.9±0.05×104 M-1, and their binding free energies were found to be -6.4 and -6.16 kcal/mol, respectively. The displacement studies confirmed that lidocaine 1.4±0.05×104 M-1 replaced Dhc, and phenylbutazone 1.5±0.05×104 M-1 replaced by DhcA, which explains domain I and domain II are the binding sites for Dhc and DhcA. Further, CD results revealed that the secondary structure of HSA was altered in the presence of Dhc and DhcA. Furthermore, the atomic force microscopy and transmission electron microscopy showed that the dimensions like height and molecular sizes of the HSA–Dhc and HSA–DhcA complex were larger compared to HSA alone. Detailed analysis through molecular dynamics simulations also supported the greater stability of HSA–Dhc and HSA–DhcA complexes, and root-mean-square-fluctuation interpreted the binding site of Dhc as domain IB and domain IIA for DhcA. This information is valuable for the further development of steroid derivatives with improved pharmacological significance as novel anti-cancer drugs.

Keywords: apoptosis, dihydrocortisol, fluorescence quenching, protein conformations

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Authors: Rinlee Butch M. Cervera, Princess Stephanie P. Llanos

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Lithium iron phosphate (LiFePO₄) is a potential cathode material for lithium-ion batteries due to its promising characteristics. In this study, pure LiFePO₄ (LFP) and carbon-coated nanograined LiFePO₄ (LFP-C) is synthesized and characterized for its microstructural properties. X-ray diffraction patterns of the synthesized samples can be indexed to an orthorhombic LFP structure with about 63 nm crystallite size as calculated by using Scherrer’s equation. Agglomerated particles that range from 200 nm to 300 nm are observed from scanning electron microscopy images. Transmission electron microscopy images confirm the crystalline structure of LFP and coating of amorphous carbon layer. Elemental mapping using energy dispersive spectroscopy analysis revealed the homogeneous dispersion of the compositional elements. In addition, galvanostatic charge and discharge measurements were investigated for the cathode performance of the synthesized LFP and LFP-C samples. The results showed that the carbon-coated sample demonstrated the highest capacity of about 140 mAhg^-1 as compared to non-coated and micrograined sized commercial LFP.

Keywords: ceramics, energy storage, electrochemical measurements, transmission electron microscope

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Authors: T. Taşköprü, M. Zor, E. Turan

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The advantages of nickel oxide as an electrochromic material are its good contrast of transmittance and its suitable use as a secondary electrochromic film with WO3 for electrochromic devices. Electrochromic nickel oxide film was prepared by using a simple and inexpensive chemical deposition bath (CBD) technique onto fluorine-doped tin oxide (FTO) coated glass substrates from nickel nitrate solution. The films were ace centered cubic NiO with preferred orientation in the (2 0 0) direction. The electrochromic (EC) properties of the films were studied as a function of pH (8, 9, 10 and 11) in an aqueous alkaline electrolyte (0.3 M KOH) using cyclic voltammetry (CV). The EC cell was formed with the following configuration; FTO/nickel oxide film/0.3 M KOH/Pt The potential was cycled from 0.1 to 0.6V at diffferent potential sweep rates in the range 10- 50 mV/s. The films exhibit anodic electrochromism, changing colour from transparent to black.CV results of a nickel oxide film showed well-resolved anodic current peak at potential; 45 mV and cathodic peak at potential 28 mV. The structural, morphological, and optical changes in NiO film following the CV were investigated by means of X-ray diffractometer (XRD), field emission electron microscopy (FESEM) and UV-Vis- NIR spectrophotometry. No change was observed in XRD, besides surface morphology undergoes change due to the electrical discharge. The change in tansmittance between the bleached and colored state is 68% for the film deposited with pH=11 precursor.

Keywords: nickel oxide, XRD, SEM, cyclic voltammetry

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Authors: Lea Lenhardt, Ivana Zeković, Tatjana Dramićanin, Miroslav D. Dramićanin

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Fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC) and artificial neural networks (ANN) were used for characterization and classification of honey. Excitation emission spectra were obtained for 95 honey samples of different botanical origin (acacia, sunflower, linden, meadow, and fake honey) by recording emission from 270 to 640 nm with excitation in the range of 240-500 nm. Fluorescence spectra were described with a six-component PARAFAC model, and PARAFAC scores were further processed with two types of ANN’s (feed-forward network and self-organizing maps) to obtain algorithms for classification of honey on the basis of their botanical origin. Both ANN’s detected fake honey samples with 100% sensitivity and specificity.

Keywords: honey, fluorescence, PARAFAC, artificial neural networks

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Authors: Benyan Jiang, Dawei Xia, Yong Li

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Compact city construction is considered as an effective measure to reduce carbon emission in city lives. Toyama City started its compact city strategy in 2000 and was selected as a Japanese Environmental Model City in 2008 for its achievement. This paper takes Toyama as a study case, aiming to find how city polices affected people’s life styles and reduced carbon emission. The main materials used in this study are first-hand documents, like urban planning materials, government annual report and statistic data from transportation association. It is found that the main measures taken by Toyama City include the construction of light rail transit, increasing the frequency of buses, building park and ride parking lots. In addition to hardware facilities, it also offers flexible policies like passengers' coupons for the senior citizens and free use of parking lots by buying shopping vouchers. Besides, Toyama City encourages citizens to live within 500 meters of public transportation. People who buy an apartment near public transportation will receive 500,000 Japanese Yen. These measures have proven to their effects. Compared with 2005, in 2014, the transportation sector reduced emissions of 2.35 million tons of CO₂, 13.6%. This aspect is related to the increase in the number of cars in public transport and also related to fuel improvement.

Keywords: Toyama, compact city, public transportation, CO₂ reduction

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Authors: Grzegorz Baranski, Piotr Kacejko, Konrad Pietrykowski, Mariusz Duk

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This paper discusses a model of a bus-driving scheme. Rapid changes in speed result in a constantly changing kinetic energy accumulated in a bus mass and an increased fuel consumption due to hardly recuperated kinetic energy. The model is based on the results achieved from chassis dynamometer, airport and city street researches. The verified model was applied to simulate the mechanical energy recuperation during the Japanese JE05 Emission Test Cycle. The simulations were performed for several values of vehicle mass. The research results show that fuel economy is impacted by kinetic energy recuperation.

Keywords: heavy duty vehicle, city bus, Japanese JE05 test cycle, kinetic energy, simulations

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Authors: M. T. Islam, S. H. Shakif, R. Hasan, S. H. Kobi

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Investigation of rainfall trends is crucial considering climate change, food security, and the economy of a particular region. This research aims to study seasonal and annual precipitation trends and their abrupt changes over time in the south-central climatic zone of Bangladesh using monthly time series data of 50 years (1970-2019). A trend-free pre-whitening method has been employed to make necessary adjustments for autocorrelations in the rainfall data. Trends in rainfall and their intensity have been observed using the non-parametric Mann-Kendall test and Theil-Sen estimator. Significant changes and fluctuation points in the data series have been detected using the sequential Mann-Kendall test at the 95% confidence limit. The study findings show that most of the rainfall stations in the study area have a decreasing precipitation pattern throughout all seasons. The maximum decline in the rainfall intensity has been found for the Tangail station (-8.24 mm/year) during monsoon. Madaripur and Chandpur stations have shown slight positive trends in post-monsoon rainfall. In terms of annual precipitation, a negative rainfall pattern has been identified in each station, with a maximum decrement (-) of 14.48 mm/year at Chandpur. However, all the trends are statistically non-significant within the 95% confidence interval, and their monotonic association with time ranges from very weak to weak. From the sequential Mann-Kendall test, the year of changing points for annual and seasonal downward precipitation trends occur mostly after the 90s for Dhaka and Barishal stations. For Chandpur, the fluctuation points arrive after the mid-70s in most cases.

Keywords: trend analysis, Mann-Kendall test, Theil-Sen estimator, sequential Mann-Kendall test, rainfall trend

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Authors: Himanshu Shekhar Maharana, S. K .Dash

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Economic Load Dispatch (ELD) proves to be a vital optimization process in electric power system for allocating generation amongst various units to compute the cost of generation, the cost of emission involving global warming gases like sulphur dioxide, nitrous oxide and carbon monoxide etc. In this dissertation, we emphasize ramp rate constriction factor based particle swarm optimization (RRCPSO) for analyzing various performance objectives, namely cost of generation, cost of emission, and a dual objective function involving both these objectives through the experimental simulated results. A 6-unit 30 bus IEEE test case system has been utilized for simulating the results involving improved weight factor advanced ramp rate limit constraints for optimizing total cost of generation and emission. This method increases the tendency of particles to venture into the solution space to ameliorate their convergence rates. Earlier works through dispersed PSO (DPSO) and constriction factor based PSO (CPSO) give rise to comparatively higher computational time and less good optimal solution at par with current dissertation. This paper deals with ramp rate and constriction factor based well defined ramp rate PSO to compute various objectives namely cost, emission and total objective etc. and compares the result with DPSO and weight improved PSO (WIPSO) techniques illustrating lesser computational time and better optimal solution. 

Keywords: economic load dispatch (ELD), constriction factor based particle swarm optimization (CPSO), dispersed particle swarm optimization (DPSO), weight improved particle swarm optimization (WIPSO), ramp rate and constriction factor based particle swarm optimization (RRCPSO)

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Authors: Sagar Hedaoo, Fazle Baki, Ahmed Azab

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In supply chain management, network design for scalable manufacturing facilities is an emerging field of research. Facility location allocation assigns facilities to customers to optimize the overall cost of the supply chain. To further optimize the costs, capacities of these facilities can be changed in accordance with customer demands. A mathematical model is formulated to fully express the problem at hand and to solve small-to-mid range instances. A dedicated constraint has been developed to restrict emissions in line with the Kyoto protocol. This problem is NP-Hard; hence, a simulated annealing metaheuristic has been developed to solve larger instances. A case study on the USA-Canada cross border crossing is used.

Keywords: emission, mixed integer linear programming, metaheuristic, simulated annealing

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Authors: Zichao Zhang, Yifan Zhao, Samuel Court

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The carbon emission problem of the traditional construction industry has long been a pressing issue. With the growing emphasis on environmental protection and advancement of science and technology, the organic integration of digital technology and emission reduction has gradually become a mainstream solution. Among various sophisticated digital technologies, digital twins, which involve creating virtual replicas of physical systems or objects, have gained enormous attention in recent years as tools to improve productivity, optimize management and reduce carbon emissions. However, the relatively high implementation costs including finances, time, and manpower associated with digital twins have limited their widespread adoption. As a result, most of the current applications are primarily concentrated within a few industries. In addition, the creation of digital twins relies on a large amount of data and requires designers to possess exceptional skills in information collection, organization, and analysis. Unfortunately, these capabilities are often lacking in the traditional construction industry. Furthermore, as a relatively new concept, digital twins have different expressions and usage methods across different industries. This lack of standardized practices poses a challenge in creating a high-quality digital twin framework for construction. This paper firstly reviews the current academic studies and industrial practices focused on reducing greenhouse gas emissions in the construction industry using digital twins. Additionally, it identifies the challenges that may be encountered during the design and implementation of a digital twin framework specific to this industry and proposes potential directions for future research. This study shows that digital twins possess substantial potential and significance in enhancing the working environment within the traditional construction industry, particularly in their ability to support decision-making processes. It proves that digital twins can improve the work efficiency and energy utilization of related machinery while helping this industry save energy and reduce emissions. This work will help scholars in this field to better understand the relationship between digital twins and energy conservation and emission reduction, and it also serves as a conceptual reference for practitioners to implement related technologies.

Keywords: digital twins, emission reduction, construction industry, energy saving, life cycle, sustainability

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Authors: Amir Moslehi, Gholamreza Raisali

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Microdosimetric detectors based on multiple-thick gas electron multiplier (multiple-THGEM) configurations are being used in various fields of radiation protection and dosimetry. In the present work, microdosimetric response of these detectors to fast neutrons has been investigated by Monte Carlo method. Three similar microdosimeters made of A-150 and rexolite as the wall materials are designed; the first based on single-THGEM, the second based on double-THGEM and the third is based on triple-THGEM. Sensitive volume of the three microdosimeters is a right cylinder of 5 mm height and diameter which is filled with the propane-based tissue-equivalent (TE) gas. The TE gas with 0.11 atm pressure at the room temperature simulates 1 µm of tissue. Lineal energy distributions for several neutron energies from 10 keV to 14 MeV including 241Am-Be neutrons are calculated by the Geant4 simulation toolkit. Also, mean quality factor and dose-equivalent value for any neutron energy has been determined by these distributions. Obtained data derived from the three microdosimeters are in agreement. Therefore, we conclude that the multiple-THGEM structures present similar microdosimetric responses to fast neutrons.

Keywords: fast neutrons, geant4, multiple-thick gas electron multiplier, microdosimeter

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Authors: Zeynep Dikmen, Vural Bütün

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Electron donor or acceptor capability to participate in electron conjugation is the requirement for an electroactive material. Conjugated molecules and polymers bearing heterocyclic units have potential as optically electroactive materials. Thiazolo thiazole based compounds have attention for last two decades, because they have attractive electronic and optical properties, these compounds are useful for electronic application areas such as dye sentisized solar cells (DSSCs), organic light emitting diodes (OLEDs) and field effect transistors (FETs). Thiazolo[5,4-d]thiazole is bicyclic aromatic structure contains N and S atoms which act as electron donor. A new electron accepting or donating group bound to thiazolo [5,4-d] thiazole fused ring can change the electronic, spectroscopic, stability and dyeing properties of the new material. Polyphenylene(thiazolo [5,4-d] thiazole) (p-PhTT) compound was synthesized via condensation reaction of terephthalaldehyde with dithiooxamide. The chemical structure was determined with solid state 13C NMR spectroscopy. Optical properties (i.e. absorbance and band gap) was determined via solid UV-vis spectroscopy. The insoluble polymer was quarternized with 4-vinylbenzyl chloride (VBC). Colorless VBC changed into a yellow liquid. AgNO3 complex were prepared and optical properties were investigated with UV-Vis, fluorescence spectroscopy and X-ray spectroscopy and cyclic voltammetry studies were examined in this research. This structure exhibits good absorbance and fluorescence in UV-vis region. Synthesis scheme of PyTT and preparation of metal complexes are given. PyTT has absorbance at ~360 nm and fluorescence at ~420 nm.

Keywords: thiazolo thiazole, quarternized polymers, polymeric ligands, Ag complexes

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Authors: Kanika Saxena, Sunita Balani

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Purpose - The aim of the study is to compare the reported sustainability activities in areas of emission, water management and gender equality, currently undertaken by the seven major pharmaceutical companies. Methodology: The published corporate sustainability activity reports for the year 2017 for seven pharmaceutical companies have been studied. The two main criteria for the inclusion of pharmaceutical companies in this study are that they are globally recognized and active in the field of sustainability reporting. Company’s actions and initiatives have been grouped under three categories: (i) Emissions (ii) Water management (iii) Gender Equality in terms of employee workforce. Findings: Based on the sustainability reports, quantification and grading of the companies showed interesting results. Johnson & Johnson and Bayer are leading their activities under emissions and water management categories. The number of activities under emission and water management in case of Eli Lily, Roche, Sanofi, Pfizer and GlaxoSmithKline were 19, 16, 16, 11 and 6 respectively. Johnson & Johnson and Eli Lily are leading in taking the initiatives to curb the problem of emissions as compared with other 5 companies. Under the category of gender equality in terms of employee workforce, Eli Lily is leading the group of sampled companies with 47% of women employee workforce globally followed by Sanofi with 46.2% (42.2% of managers) female employees. It has also been observed that in some of the reports, gender diversification in the workforce has not been mentioned though the total number of employees were mentioned. Conclusion: This study could serve as the informative material for future in-depth industry-specific studies in order to find out the participation of the pharmaceutical companies in the reporting of the sustainability activities especially in reference to emission, water management and gender equality in the workforce. In addition to it, this can be helpful as a reference point for other companies in the pharmaceutical sector who are yet to explore the field of sustainability initiatives and reporting. Due to the limited scope of this study, only seven major players of the pharmaceutical sector who are active in the field of sustainability have been considered.

Keywords: emission, gender equality workforce, pharmaceutical, sustainability, water management

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Authors: Keltoum Bouherine, Olivier Leroy

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The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.

Keywords: electron density, electric field, microwave plasma reactor, gas velocity, non-equilibrium plasma

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Authors: Kheira Hamaida, Mohamed Salah Halati

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In this current paper, our aim work is to link as possible the obtained simulation results and the other experimental ones, just focusing on the electronic and optical properties of ZnSe. The predictive spectra of the total and partial densities of states using the Full Potential Linearized/Augmented Plane Wave method with the newly Tran-Blaha (TB) modified Becke-Johnson (mBJ) exchange-correlation potential (EXC). So the upper valence energy (UVE) levels contain the relative contribution of Se-(4p and 3d) states with considerable contribution from the electrons of Zn-2s orbital. The dielectric function of w-ZnSe, with its two parts, appears with a noticeable anisotropy character. The microscopic origins of the electronic states that are responsible for the observed peaks in the spectrum are determined through the decomposition of the spectrum to the individual contributions of the electronic transitions between the pairs of bands, where Vi is an occupied state in the valence band, and Ci is an unoccupied state in the conduction band. X-PES (X Ray-Photo Electron Spectroscopy) is an important technique used to probe the homogeneity, stoichiometry, and purity state of the title compound. In order to check the electron transitions derived from simulations and the others from Reflected Electron Energy Loss Spectroscopy (REELS) technique which was of great sensitivity, is used to determine the interband electronic transitions. In the optical window (Eg), all the electron energy states created were also determined through the specific gaussian deconvolution of the photoluminescence spectrum (PLS) that probed under a room temperature (RT).

Keywords: spectroscopy, WIEN2K, IIB-VIA semiconductors, dielectric function

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Authors: Said Nurdin, Fatimah A. Misebah, Rosli M. Yunus, Mohd S. Mahmud, Ahmad Z. Sulaiman

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The discarded clam shell waste, fossil and edible oil as biolubricant feedstocks create environmental impacts and food chain dilemma, thus this work aims to circumvent these issues by using activated saltwater clam shell waste (SCSW) as solid catalyst for conversion of Jatropha curcas oil as non-edible sources to ester biolubricant. The characterization of solid catalyst was done by Differential Thermal Analysis-Thermo Gravimetric Analysis (DTA-TGA), X-Ray Fluorescence (XRF), X-Ray Diffraction (XRD), Brunauer-Emmett-Teller (BET), Field Emission Scanning Electron Microscopy (FESEM) and Fourier Transformed Infrared Spectroscopy (FTIR) analysis. The calcined catalyst was used in the transesterification of Jatropha oil to methyl ester as the first step, and the second stage was involved the reaction of Jatropha methyl ester (JME) with trimethylolpropane (TMP) based on the various process parameters. The formated biolubricant was analyzed using the capillary column (DB-5HT) equipped Gas Chromatography (GC). The conversion results of Jatropha oil to ester biolubricant can be found nearly 96.66%, and the maximum distribution composition mainly contains 72.3% of triester (TE).

Keywords: conversion, Jatropha curcas oil, ester biolubricant, solid catalyst

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Authors: Osama K. Abou-Zied, Saba A. Sulaiman

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We studied the spectroscopy of 25-nm diameter gold nanoparticles (AuNPs), coated with human serum albumin (HSA) as a model drug carrier. The morphology and coating of the AuNPs were examined using transmission electron microscopy and dynamic light scattering. Resonance energy transfer from the sole tryptophan of HSA (Trp214) to the AuNPs was observed in which the fluorescence quenching of Trp214 is dominated by a static mechanism. Using fluorescein (FL) to probe the warfarin drug-binding site in HSA revealed the unchanged nature of the binding cavity on the surface of the AuNPs, indicating the stability of the protein structure on the metal surface. The transient absorption results of the surface plasmonic resonance (SPR) band of the AuNPs show three ultrafast dynamics that are involved in the relaxation process after excitation at 460 nm. The three decay components were assigned to the electron-electron (~ 400 fs), electron-phonon (~ 2.0 ps) and phonon-phonon (200–250 ps) interactions. These dynamics were not changed upon coating the AuNPs with HSA which indicates the chemical and physical stability of the AuNPs upon bioconjugation. Binding of FL in HSA did not have any measurable effect on the bleach recovery dynamics of the SPR band, although both FL and AuNPs were excited at 460 nm. The current study is important for a better understanding of the physical and dynamical properties of protein-coated metal nanoparticles which are expected to help in optimizing their properties for critical applications in nanomedicine.

Keywords: gold nanoparticles, human serum albumin, fluorescein, femtosecond transient absorption

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Authors: Dongju Kim, Youngjoo Suh, Hyojin Kim, Gyeongyeong Kim

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Acoustic Emission Testing (AET) is widely used to test the structural integrity of an operational hydrogen storage container, and clustering algorithms are frequently used in pattern recognition methods to interpret AET results. However, the interpretation of AET results can vary from user to user as the tuning of the relevant parameters relies on the user's experience and knowledge of AET. Therefore, it is necessary to use a deep learning model to identify patterns in acoustic emission (AE) signal data that can be used to classify defects instead. In this paper, a deep learning-based model for classifying the types of defects in hydrogen storage tanks, using AE sensor waveforms, is proposed. As hydrogen storage tanks are commonly constructed using carbon fiber reinforced polymer composite (CFRP), a defect classification dataset is collected through a tensile test on a specimen of CFRP with an AE sensor attached. The performance of the classification model, using one-dimensional convolutional neural network (1-D CNN) and synthetic minority oversampling technique (SMOTE) data augmentation, achieved 91.09% accuracy for each defect. It is expected that the deep learning classification model in this paper, used with AET, will help in evaluating the operational safety of hydrogen storage containers.

Keywords: acoustic emission testing, carbon fiber reinforced polymer composite, one-dimensional convolutional neural network, smote data augmentation

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Authors: Mohsen Sanayei, Jerzy Szpunar, Sami Penttilä

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Exposure of Nickel-based superalloys to high temperature and harsh environment such as Super-Critical Water (SCW) environment leads to the formation of oxide scales composed of multiple and complex phases that are difficult to differentiate with conventional analysis techniques. In this study, we used simultaneous Electron Backscatter Diffraction (EBSD) and Energy Dispersive X-ray Spectroscopy (EDS) to analyze the complex oxide scales formed on several Nickel-based Superalloys exposed to high temperature SCW. Multi-layered structures of Iron, Nickel, Chromium and Molybdenum oxides and spinels were clearly identified using the simultaneous EBSD-EDS analysis technique. Furthermore, the orientation relationship between the oxide scales and the substrate has been investigated.

Keywords: electron backscatter diffraction, energy dispersive x-ray spectroscopy, superalloy, super-critical water

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Authors: Meenu Kaushik, Ayon K. Bandhoyadhayay, Lalit M. Joshi

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Inductive output tubes (IOTs) are widely used as microwave power amplifiers for broadcast and scientific applications. It is capable of amplifying radio frequency (RF) power with very good efficiency. Its compactness, reliability, high efficiency, high linearity and low operating cost make this device suitable for various applications. The device consists of an integrated structure of electron gun and RF cavity, collector and focusing structure. The working principle of IOT is a combination of triode and klystron. The cathode lies in the electron gun produces a stream of electrons. A control grid is placed in close proximity to the cathode. Basically, the input part of IOT is the integrated structure of gridded electron gun which acts as an input cavity thereby providing the interaction gap where the input RF signal is applied to make it interact with the produced electron beam for supporting the amplification phenomena. The paper presents the design, fabrication and testing of a radial re-entrant cavity for implementing in the input structure of IOT at 350 MHz operating frequency. The model’s suitability has been discussed and a generalized mathematical relation has been introduced for getting the proper transverse magnetic (TM) resonating mode in the radial narrow gap RF cavities. The structural modeling has been carried out in CST and SUPERFISH codes. The cavity is fabricated with the Aluminum material and the RF characterization is done using vector network analyzer (VNA) and the results are presented for the resonant frequency peaks obtained in VNA.

Keywords: inductive output tubes, IOT, radial cavity, coaxial cavity, particle accelerators

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Authors: Debasis Sarkar

Abstract:

Clean development mechanism (CDM) can act as an effective instrument for mitigating climate change. This mechanism can effectively reduce the emission of CO2 and other green house gases (GHG). Construction of a mega infrastructure project like underground corridor construction for metro rail operation involves in consumption of substantial quantity of concrete which consumes huge quantity of energy consuming materials like cement and steel. This paper is an attempt to develop an integrated clean development mechanism and risk management approach for sustainable development for an underground corridor metro rail project in India during its construction phase. It was observed that about 35% reduction in CO2 emission can be obtained by adding fly ash as a part replacement of cement. The reduced emission quantity of CO2 which is of the quantum of about 21,646.36 MT would result in cost savings of approximately INR 8.5 million (USD 1,29,878).But construction and operation of such infrastructure projects of the present era are subject to huge risks and uncertainties throughout all the phases of the project, thus reducing the probability of successful completion of the project within stipulated time and cost frame. Thus, an integrated approach of combining CDM with risk management would enable the metro rail authorities to develop a sustainable risk mitigation measure framework to ensure more cost and energy savings and lesser time and cost over-run.

Keywords: clean development mechanism (CDM), infrastructure transportation, project risk management, underground metro rail

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Authors: Somayeh Azizi, Mohammad Hossein Ehsani, Amir Zareidoost

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In this research, a technique has been developed to reduce the corrosion rate of magnesium (Mg) metal by creating Zr-Nb thin film coatings. In this regard, thin-film coatings of niobium (Nb) zirconium (Zr) double alloy are applied on pure Mg specimens under different processes conditions, such as the change of the substrate temperature, substrate bias, and coating thickness using the magnetron sputtering method. Then, deposited coatings are analyzed in terms of surface features via field-emission scanning electron microscopy (FE-SEM), thin-layer X-ray diffraction (GI-XRD), energy-dispersive X-ray spectroscopy (EDS), atomic force microscopy (AFM), and corrosion tests. Also, nano-scratch tests were carried out to investigate the adhesion of the thin film. The results showed that the (Zr-Nb) thin films could control the degradation rate of Mg in the simulated body fluid (SBF). The nano-scratch studies depicted that the (Zr-Nb) thin films have a proper adhesion with the Mg substrate. Therefore, this technique could be used to enhance the corrosion resistance of bare Mg and could result in improving the performance of the biodegradable Mg implant for orthopedic applications.

Keywords: (Zr-Nb) thin film, magnetron sputtering, biodegradable Mg, degradation rate

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Authors: M. Habibi

Abstract:

The angular distribution of ion beam emission from the APF plasma focus device (15kV, 40μf, 115nH) filled with nitrogen gas has been examined through investigating the effect of ion beams on aluminum thin foils in different angular positions. The samples are studied in different distances from the anode end with different shots. The optimum pressure that would be obtained at the applied voltages of 12kV was 0.7 torr. The ions flux declined as the pressure inclined and the maximum ion density at 0.7 torr was about 10.26 × 1022 ions/steradian. The irradiated foils were analyzed with SEM method in order to study their surface and morphological changes. The results of the analysis showed melting and surface evaporation effects and generation of some cracks in the specimens. The result of ion patterns on the samples obtained in this study can be useful in determining ion spatial distributions on the top of anode.

Keywords: plasma focus, spatial distribution, high energy ions, ion angular distribution

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Authors: D. M. Reddy Prasad, Nur Sabrina Binti Rahmat, Huei Ruey Ong, Chin Kui Cheng, Maksudur Rahman Khan, D. Sathiyamoorthy

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Carbon dioxide (CO₂) emission to the environment is inevitable which is responsible for global warming. Photocatalytic reduction of CO₂ to fuel, such as methanol, methane etc. is a promising way to reduce greenhouse gas CO₂ emission. In the present work, Bi₂S₃/CdS was synthesized as an effective visible light responsive photocatalyst for CO₂ reduction into methanol. The Bi₂S₃/CdS photocatalyst was prepared by hydrothermal reaction. The catalyst was characterized by X-ray diffraction (XRD) instrument. The photocatalytic activity of the catalyst has been investigated for methanol production as a function of time. Gas chromatograph flame ionization detector (GC-FID) was employed to analyze the product. The yield of methanol was found to increase with higher CdS concentration in Bi₂S₃/CdS and the maximum yield was obtained for 45 wt% of Bi₂S₃/CdS under visible light irradiation was 20 μmole/g. The result establishes that Bi₂S₃/CdS is favorable catalyst to reduce CO₂ to methanol.

Keywords: photocatalyst, CO2 reduction, methanol, visible light, XRD, GC-FID

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Authors: Hirbod Varasteh, Hamidreza Gohari Darabkhani

Abstract:

The global warming and its impact on climate change is one of main challenges for current century. Global warming is mainly due to the emission of greenhouse gases (GHG) and carbon dioxide (CO₂) is known to be the major contributor to the GHG emission profile. Whilst the energy sector is the primary source for CO₂ emission, Carbon Capture and Storage (CCS) are believed to be the solution for controlling this emission. Oxyfuel combustion (Oxy-combustion) is one of the major technologies for capturing CO₂ from power plants. For gas turbines, several Oxy-combustion power cycles (Oxyturbine cycles) have been investigated by means of thermodynamic analysis. NetPower cycle is one of the leading oxyturbine power cycles with almost full carbon capture capability from a natural gas fired power plant. In this manuscript, sensitivity analysis of the heat exchanger design in NetPower cycle is completed by means of process modelling. The heat capacity variation and supercritical CO₂ with gaseous admixtures are considered for multi-zone analysis with Aspen Plus software. It is found that the heat exchanger design has a major role to increase the efficiency of NetPower cycle. The pinch-point analysis is done to extract the composite and grand composite curve for the heat exchanger. In this paper, relationship between the cycle efficiency and the minimum approach temperature (∆Tmin) of the heat exchanger has also been evaluated.  Increase in ∆Tmin causes a decrease in the temperature of the recycle flue gases (RFG) and an overall decrease in the required power for the recycled gas compressor. The main challenge in the design of heat exchangers in power plants is a tradeoff between the capital and operational costs. To achieve lower ∆Tmin, larger size of heat exchanger is required. This means a higher capital cost but leading to a better heat recovery and lower operational cost. To achieve this, ∆Tmin is selected from the minimum point in the diagrams of capital and operational costs. This study provides an insight into the NetPower Oxy-combustion cycle’s performance analysis and operational condition based on its heat exchanger design.

Keywords: carbon capture and storage, oxy-combustion, netpower cycle, oxy turbine cycles, zero emission, heat exchanger design, supercritical carbon dioxide, oxy-fuel power plant, pinch point analysis

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Authors: Cho-Liang Chung

Abstract:

Uniform and rapid drug release are important for trauma dressing application. Low glass transition polymer system and non-woven nanofiber structures as the designs conduct rapid-release characteristics. In this study, polyvinylpyrrolidone, polysulfone, and polystyrene were dissolved in dimethylformamide to form precursor solution. These solutions were blended with vitamin C to form the electrospinning solutions. The non-woven nanofibers structures were successfully prepared using an electrospinning process. The following instruments were used to analyze the characteristics of non-woven nanofibers structures: Atomic force microscopy (AFM), Field Emission Scanning Electron Microscope (FE-SEM), and X-ray Diffraction (XRD). The AFM was used to scan the nanofibers. 3D Graphics were applied to explore the surface morphology of nanofibers. FE-SEM was used to explore the morphology of non-woven structures. XRD was used to identify crystal structures in the non-woven structures. The evolution of morphology of non-woven structures was changed dramatically in different durations, because of the moisture absorption and decreasing glass transition temperature; the non-woven nanofiber structures can be applied to uniform and rapid drug release for trauma dressing application.

Keywords: nanofibers, non-woven, electrospinning process, rapid drug releasing

Procedia PDF Downloads 115