Search results for: Low Density poly (Ethylene)

Authors: Mauricio A. Sarabia-Vallejos, Carmen M. Gonzalez-Henriquez, Adolfo Del Campo-Garcia, Aitzibier L. Cortajarena, Juan Rodriguez-Hernandez

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In this study, it was explored the formation and the morphological differences between wrinkled hydrogel patterns obtained via generation of surface instabilities. The slight variations in the polymerization conditions produce important changes in the material composition and pattern structuration. The compounds were synthesized using three main components, i.e. an amphiphilic monomer, hydroxyethyl methacrylate (HEMA), a hydrophobic monomer, trifluoroethyl methacrylate (TFMA), and a hydrophilic crosslinking agent, poly(ethylene glycol) diacrylate (PEGDA). The first part of this study was related to the formation of wrinkled surfaces using only HEMA and PEGDA and varying the amount of water added in the reaction. The second part of this study involves the gradual insertion of TFMA into the hydrophilic reaction mixture. Interestingly, the manipulation of the chemical composition of this hydrogel affects both surface morphology and physicochemical characteristics of the patterns, inducing transitions from one particular type of structure (wrinkles or ripples) to different ones (creases, folds, and crumples). Contact angle measurements show that the insertion of TFMA produces a slight decrease in surface wettability of the samples, remaining however highly hydrophilic (contact angle below 45°). More interestingly, by using confocal Raman spectroscopy, important information about the wrinkle formation mechanism is obtained. The procedure involving two consecutive thermal and photopolymerization steps lead to a “pseudo” two-layer system. Thus, upon photopolymerization, the surface is crosslinked to a higher extent than the bulk and water evaporation drives the formation of wrinkled surfaces. Finally, cellular, and bacterial proliferation studies were performed to the samples, showing that the amount of TFMA included in each sample slightly affects the proliferation of both (bacteria and cells), but in the case of bacteria, the morphology of the sample also plays an important role, importantly reducing the bacterial proliferation.

Keywords: antibiofouling properties, hydrophobic/hydrophilic balance, morphologic characterization, wrinkled hydrogel patterns

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Authors: Saekil Yun, Sib Sankar Giri, Jin Woo Jun, Hyoun Joong Kim, Sang Guen Kim, Sang Wha Kim, Jung Woo Kang, Se Jin Han, Se Chang Park

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In aquaculture, vaccination is important to control and prevent diseases. In the study, we utilized poly D,L-lactide-co-glycolic acid (PLGA) microparticles (MPs) for encapsulating formalin-killed Aeromonas hydrophila cells. To assess the innate and adaptive immune responses, carps and loaches were used for the experiments. Fish were divided into three groups (A, B, C). Total antigen of 0.1 ml vaccine was adjusted by 2 x 108 CFU and injected via intraperitoneal route. Group A was vaccinated with 0.1 ml of PLGA vaccine, group B was with 0.1 ml of FKC vaccine and group C was with 0.1 ml of sterile PBS. All three groups were challenged with A. hydrophila and challenge dose was lethal dose (LD50). Loaches and carp were then challenged with A. hydrophila at 12 and 20 weeks post vaccination (wpv), and 10 and 14 wpv, respectively, and relative survival rates were calculated. For both fish species, the curve of antibody titer over time was shallower in the PLGA group than the FKC group and the PLGA groups demonstrated higher survival rates at all time-points. In the groups of PLGA-MP, relative mRNA levels of IL-1β, TNF-α, lysozyme C and IgM were significantly upregulated than FKC treated groups. Biodegradable PLGA microparticle vaccine could induce longer immune responses than original FKC vaccines to protect from A. hydrophila infection.

Keywords: PLGA, microparticles, Aeromonas hydrophila, vaccine

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Authors: Hyeongdo Jeong, Jong Kook Lee

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Granule morphology and microstructure were affected by slurry viscosity, chemical composition, particle size and spray drying process. In this study, we investigated granule morphology of zirconia powder with solid content on two-fluid spray drying. Zirconia granules after spray drying show sphere-like shapes with a diameter of 40-70 μm at low solid contents (30 or 40 wt%) and specific surface area of 5.1-5.6 m²/g. But a donut-like shape with a few cracks were observed on zirconia granules prepared from the slurry of high solid content (50 wt %), green compacts after cold isostatic pressing under the pressure of 200 MPa have the density of 2.1-2.2 g/cm³ and homogeneous fracture surface by complete destruction of granules. After the sintering at 1500 °C for 2 h, all specimens have relative density of 96.2-98.3 %. With increasing a solid content from 30 to 50 wt%, grain size increased from 0.3 to 0.6 μm, but relative density was inversely decreased from 98.3 to 96.2 %.

Keywords: zirconia, solid content, granulation, spray drying

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Authors: Jon Ajuria, Edurne Redondo, Roman Mysyk, Eider Goikolea

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Hybrid capacitor configurations are now of increasing interest to overcome the current energy limitations of supercapacitors entirely based on non-Faradaic charge storage. Among them, Li-ion capacitors including a negative battery-type lithium intercalation electrode and a positive capacitor-type electrode have achieved tremendous progress and have gone up to commercialization. Inexpensive electrode materials from renewable sources have recently received increased attention since cost is a persistently major criterion to make supercapacitors a more viable energy solution, with electrode materials being a major contributor to supercapacitor cost. Additionally, Na-ion battery chemistries are currently under development as less expensive and accessible alternative to Li-ion based battery electrodes. In this work, we are presenting both lithium and sodium ion capacitor (LIC & NIC) entirely based on electrodes prepared from carbon materials derived from recycled olive pits. Yearly, around 1 million ton of olive pit waste is generated worldwide, of which a third originates in the Spanish olive oil industry. On the one hand, olive pits were pyrolized at different temperatures to obtain a low specific surface area semigraphitic hard carbon to be used as the Li/Na ion intercalation (battery-type) negative electrode. The best hard carbon delivers a total capacity of 270mAh/g vs Na/Na+ in 1M NaPF6 and 350mAh/g vs Li/Li+ in 1M LiPF6. On the other hand, the same hard carbon is chemically activated with KOH to obtain high specific surface area -about 2000 m2g-1- activated carbon that is further used as the ion-adsorption (capacitor-type) positive electrode. In a voltage window of 1.5-4.2V, activated carbon delivers a specific capacity of 80 mAh/g vs. Na/Na+ and 95 mAh/g vs. Li/Li+ at 0.1A /g. Both electrodes were assembled in the same hybrid cell to build a LIC/NIC. For comparison purposes, a symmetric EDLC supercapacitor cell using the same activated carbon in 1.5M Et4NBF4 electrolyte was also built. Both LIC & NIC demonstrates considerable improvements in the energy density over its EDLC counterpart, delivering a maximum energy density of 110Wh/Kg at a power density of 30W/kg AM and a maximum power density of 6200W/Kg at an energy density of 27 Wh/Kg in the case of NIC and a maximum energy density of 110Wh/Kg at a power density of 30W/kg and a maximum power density of 18000W/Kg at an energy density of 22 Wh/Kg in the case of LIC. In conclusion, our work demonstrates that the same biomass waste can be adapted to offer a hybrid capacitor/battery storage device overcoming the limited energy density of corresponding double layer capacitors.

Keywords: hybrid supercapacitor, Na-Ion capacitor, supercapacitor, Li-Ion capacitor, EDLC

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Authors: Yuichi Anada

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Electrical properties of polymer solid is characterized by dielectric relaxation phenomenon. Complex permittivity shows a high dependence on frequency of external stimulation in the broad frequency range from 0.1mHz to 10GHz. The complex-permittivity dispersion gives us a lot of useful information about the molecular motion of polymers and the structure of polymer aggregates. However, the large dispersion of permittivity at low frequencies due to DC conduction of impurity ions often covers the dielectric relaxation in polymer solid. In experimental investigation, many researchers have tried to remove the DC conduction experimentally or analytically for a long time. On the other hand, our laboratory chose another way of research for this problem from the point of view of a reversal in thinking. The way of our research is to use the impurity ions in the DC conduction as a probe to detect the motion of polymer molecules and to investigate the structure of polymer aggregates. In addition to the complex permittivity, the electric modulus and the conductivity relaxation time are strong tools for investigating the ionic motion in DC conduction. In a non-crystalline part of melt-crystallized polymers, free spaces with inhomogeneous size exist between crystallites. As the impurity ions exist in the non-crystalline part and move through these inhomogeneous free spaces, the motion of ions reflects the microstructure of non-crystalline part. The ionic motion of impurity ions in poly(vinylidene fluoride) (PVDF) is investigated in this study. Frequency dependence of the loss permittivity of PVDF shows a characteristic of the direct current (DC) conduction below 1 kHz of frequency at 435 K. The electric modulus-frequency curve shows a characteristic of the dispersion with the single conductivity relaxation time. Namely, it is the Debye-type dispersion. The conductivity relaxation time analyzed from this curve is 0.00003 s at 435 K. From the plot of conductivity relaxation time of PVDF together with the other polymers against permittivity, it was found that there are two group of polymers; one of the group is characterized by small conductivity relaxation time and large permittivity, and another is characterized by large conductivity relaxation time and small permittivity.

Keywords: conductivity relaxation time, electric modulus, ionic motion, permittivity, poly(vinylidene fluoride), DC conduction

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Authors: Ahmed Tawfik

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Oxidation of 1,4 dioxane produces metabolites by-products involving glycolaldehyde and acids that have geno- and cytotoxicity impact on microbial degradation. Thereby, the incorporation of algae with bacteria in the treatment system would eliminate and overcome the accumulation of metabolites that are utilized as a carbon source for the build-up of biomass. Therefore, the aim of the present study is to assess the potential of algae/bacteria-based membrane bioreactor (AB-MBR) for biodegradation of 1,4 dioxane-rich wastewater at a high imposed loading rate. Three identical reactors, i.e., AB-MBR1, AB-MBR2, and AB-MBR3, were operated in parallel at 1,4 dioxane loading rates of 641.7, 320.9, and 160.4 mg/L. d., and HRTs of 6.0, 12 and 24 h. respectively. The AB-MBR1 achieved 1,4 dioxane removal rate of 263.7 mg/L.d., where the residual value in the treated effluent amounted to 94.4±22.9 mg/L. Reducing the 1,4 dioxane loading rate (LR) to 320.9 mg/L.d in the AB-MBR2 maximized the removal rate efficiency of 265.9 mg/L.d., with a removal efficiency of 82.8±3.2%. The minimum value of 1,4 dioxane of 17.3±1.8 mg/L in the treated effluent of AB-MBR3 was obtained at an HRT of 24.0 h and loading rate of 160.4 mg/L.d. The mechanism of 1,4 dioxane degradation in AB-MBR was a combination of volatilization (8.03±0.6%), UV oxidation (14.1±0.9%), microbial biodegradation (49.1±3.9%) and absorption/uptake and assimilation by algae (28.8±2.%). Further, the Thioclava, Afipia, and Mycobacterium genera oxidized and produced the required enzymes for hydrolysis and cleavage of the dioxane ring into 2-hydroxy-1,4 dioxane. Moreover, the fungi, i.e., Basidiomycota and Cryptomycota, played a big role in the degradation of the 1,4 dioxane into 2-hydroxy-1,4 dioxane. Xanthobacter and Mesorhizobium were involved in the metabolism process by secreting alcohol dehydrogenase (ADH), aldehyde dehydrogenase (ALDH), and glycolate oxidase. Bacteria and fungi produced dehydrogenase (DH) for the transformation of 2-hydroxy-1,4 dioxane into 2-hydroxy-ethoxyacetaldehyde. The latter is converted into Ethylene glycol by Aldehyde hydrogenase (ALDH). Ethylene glycol is oxidized into acids using Alcohol hydrogenase (ADH). The Diatomea, Chlorophyta, and Streptophyta utilize the metabolites for biomass assimilation and produce the required oxygen for further oxidation of the dioxane and its metabolites by-products of bacteria and fungi. The major portion of metabolites (ethylene glycol, glycolic acid, and oxalic acid were removed due to uptake and absorption by algae (43±4.3%), followed by adsorption (18.4±0.9%). The volatilization and UV oxidation contribution for the degradation of metabolites were 8.7±0.7% and 12.3±0.8%, respectively. The capabilities of genera Defluviimonas, Thioclava, Luteolibacter, and Afipia. The genera of Defluviimonas, Thioclava, Luteolibacter, and Mycobacterium were grown under a high 1,4 dioxane LR of 641.7 mg/L.d. The Chlorophyta (4.1-43.6%), Streptophyta (2.5-21.7%), and Diatomea (0.8-1.4%) phyla were dominant for degradation of 1,4 dioxane. The results of this study strongly demonstrated that the bioremediation and bioaugmentation process can safely remove 1,4 dioxane from industrial wastewater while minimizing environmental concerns and reducing economic costs.

Keywords: wastewater, membrane bioreactor, bacterial community, algal community

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Authors: Lamla Thungathaa, Conrad Mahlasea, Lisa Ngcebesha

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1,4-Diamino-3,6-dinitropyrazolo[4,3-c]pyrazole (LLM-119) and its structural isomer 3,6-dinitropyrazolo[3,4-c]pyrazole-1,4(6H)-diamine were designed by structural reorientation of the fused pyrazole rings and their respective substituents (-NO2 and -NH2). Structural reorientation involves structural rearrangement which result in different structural isomers, employing this approach, six structural isomers of LLM-119 were achieved. The effect of structural reorientation (isomerisation and derivatives) on the enthalpy of formation, detonation properties, impact sensitivity, and density of these molecules is studied Computationally. The computational method used are detailed in the document and they yielded results that are close to the literature values with a relative error of 2% for enthalpy of formation, 2% for density, 0.05% for detonation velocity, and 4% for detonation pressure. The correlation of the structural reorientation to the calculated thermochemical and detonation properties of the molecules indicated that molecules with a -NO2 group attached to a Carbon atom and -NH2 connected to a Nitrogen atom maximize the enthalpy of formation and detonation velocity. The joining of pyrazole molecules has less effect on these parameters. It was seen that density and detonation pressure improved when both –NO2 or -NH2 functional groups were on the same side of the molecular structure. The structural reorientation gave rise to 3,4-dinitropyrazolo[3,4-c]pyrazole-1,6-diamine which exhibited optimal density and detonation performance compared to other molecules.

Keywords: LLM-119, fused rings, azole, structural isomers, detonation properties

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Authors: Yu-Jen Shih, Yao-Hui Hunag

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Electrocoagulation (EC) using metallic nickel foam as anode and cathode for the removal of boron from solution was studied. The electrolytic parameters included pH, current density, and initial boron concentration for optimizing the EC process. Experimental results showed that removal efficiency was increased by elevating pH from 4.0 to 8.0, and then decreased at higher pH. The electrolytic efficacy was not affected by current density. In respect of energy consumption, 1.25 mA/cm2 of current density was acceptable for an effective EC of boron, while increasing boric acid from 10 to 100 ppm-B did not impair removal efficiency too much. Cyclic voltammetry indicated that the oxide film, Ni(OH)2 and NiOOH, at specific overpotentials would result in less weight loss of anode than that predicted by the Faraday’s law. The optimal conditions under which 99.2% of boron was removed and less than 1 ppm-B remained in the electrolyte would be pH 8, four pairs of electrodes, and 1.25 mA/cm2 in 120 min as treating wastewaters containing 10 ppm-B. XRD and SEM characterization suggested that the granular crystallites of hydroxide precipitates was composed of theophrastite.

Keywords: borohydrides, hydrogen generation, NiOOH, electrocoagulation, cyclic voltammetry, boron removal

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Authors: Acumsiri Tantikarnpanit

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This paper aims to examine the relationship between urbanization and income inequality in Thailand during the period 2002–2020. Using a panel of data for 76 provinces collected from Thailand’s National Statistical Office (Labor Force Survey: LFS), as well as geospatial data from the U.S. Air Force Defense Meteorological Satellite Program (DMSP) and the Visible Infrared Imaging Radiometer Suite Day/Night band (VIIRS-DNB) satellite for nineteen selected years. This paper employs two different definitions to identify urban areas: 1) Urban areas defined by Thailand's National Statistical Office (Labor Force Survey: LFS), and 2) Urban areas estimated using nighttime light data from the DMSP and VIIRS-DNB satellite. The second method includes two sub-categories: 2.1) Determining urban areas by calculating nighttime light density with a population density of 300 people per square kilometer, and 2.2) Calculating urban areas based on nighttime light density corresponding to a population density of 1,500 people per square kilometer. The empirical analysis based on Ordinary Least Squares (OLS), fixed effects, and random effects models reveals a consistent U-shaped relationship between income inequality and urbanization. The findings from the econometric analysis demonstrate that urbanization or population density has a significant and negative impact on income inequality. Moreover, the square of urbanization shows a statistically significant positive impact on income inequality. Additionally, there is a negative association between logarithmically transformed income and income inequality. This paper also proposes the inclusion of satellite imagery, geospatial data, and spatial econometric techniques in future studies to conduct quantitative analysis of spatial relationships.

Keywords: income inequality, nighttime light, population density, Thailand, urbanization

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Authors: Hamid Mustafa, Huson J. Heather, Kim Eiusoo, Adeela Ajmal, Tad S. Sonstegard

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The objective of this study was to evaluate the informativeness of Bovine high density SNPs genotyping in Sahiwal cattle population. This is a first attempt to assess the Bovine HD SNP genotyping array in any Pakistani indigenous cattle population. To evaluate these SNPs on genome wide scale, we considered 777,962 SNPs spanning the whole autosomal and X chromosomes in Sahiwal cattle population. Fifteen (15) non related gDNA samples were genotyped with the bovine HD infinium. Approximately 500,939 SNPs were found polymorphic (MAF > 0.05) in Sahiwal cattle population. The results of this study indicate potential application of Bovine High Density SNP genotyping in Pakistani indigenous cattle population. The information generated from this array can be applied in genetic prediction, characterization and genome wide association studies of Pakistani Sahiwal cattle population.

Keywords: Sahiwal cattle, polymorphic SNPs, genotyping, Pakistan

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Authors: Mohamed H. Sorour, Hayam F. Shaalan, Heba A. Hani, Mahmoud A. El-Toukhy

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This paper reports the results of nanofiltration (NF) polymeric membrane for the recovery of divalent ions (calcium and magnesium) from Red Seawater. Pilot plant experiments have been carried out using Alfa-Laval (NF 2517/48) membrane module. System was operated in both total recirculation mode (permeate and brine) and brine recirculation mode under hydraulic pressure of 15 bar. Impacts of some chelating agents on both flux and rejection have been also investigated. Results indicated that pure water permeability ranges from 17 to 85.5 L/m²h at 2-15 bar. Comparison with seawater permeability under the same operating pressure values reveals lower values of 8.9-31 L/m²h manifesting the effect of the osmotic pressure of seawater. Overall total dissolved solids (TDS) reduction was almost constant without incorporation of chelating agents. On the contrary of expectations, the use of chelating agents N-(2-hydroxyethyl) ethylene diamine-N,N´,N´-triacetic acid (HEDTA) and ethylene glycol bis (2-aminoethyl ether)-N,N,N´,N´-tetraacetic acid (EGTA) showed flux decline of about 3-15%. Analysis of rejection data of total recirculation mode showed reasonable rejection values of 35%, 59% and 90% for Ca, Mg and SO₄, respectively. Operating under brine recirculation mode only showed a decrease of rejection to 33%, 56% and 86% for Ca, Mg and SO₄, respectively. The use of chelating agents has no substantial effect on NF membrane performance except for increasing the total Ca rejection to 48 and 65% for EGTA and HEDTA, respectively. Results, in general, confirmed the powerful separation of NF technology for softening and recovery of divalent ions from seawater. It is anticipated that increasing operating pressure beyond the limits of our investigations would improve the rejection and flux values. A trade-off should be considered between operating cost (due to higher pressure and marginal benefits as manifested by expected improved performance). The experimental results fit well with the formulated rejection empirical correlations and the published ones.

Keywords: nanofiltration, seawater, recovery, calcium, magnesium

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Authors: Baghdasaryan Marinka

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Monitoring the distribution of electric power consumption in the technological process of ore grinding is conducted. As a result, the impacts of the mill filling rate, the productivity of the ore supply, the volumetric density of the grinding balls, the specific density of the ground ore, and the relative speed of the mill rotation on the specific consumption of electric power have been studied. The power and technological factors affecting the reactive power generated by the synchronous motors, operating within the technological scheme are studied. A block diagram for evaluating the power consumption modes of the technological process is presented, which includes the analysis of the technological scheme, the determination of the place and volumetric density of the ore-grinding mill, the evaluation of the technological and power factors affecting the energy saving process, as well as the assessment of the electric power standards.

Keywords: electric power standard, factor, ore grinding, power consumption, reactive power, technological

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Authors: Rajendra Kumar

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We study the Electronic spectral density of a double coupled quantum dots sandwich between superconducting leads, where one of the superconducting leads (QD1) are connected with left superconductor lead and (QD1) also connected right superconductor lead. (QD1) and (QD2) are coupling to each other. The electronic spectral density through a quantum dots between superconducting leads having s-wave symmetry of the superconducting order parameter. Such junction is called superconducting –quantum dot (S-QD-S) junction. For this purpose, we have considered a renormalized Anderson model that includes the double coupled of the superconducting leads with the quantum dots level and an attractive BCS-type effective interaction in superconducting leads. We employed the Green’s function technique to obtain superconducting order parameter with the BCS framework and Ambegaoker-Baratoff formalism to analyze the electronic spectral density through such (S-QD-S) junction. It has been pointed out that electronic spectral density through such a junction is dominated by the attractive the paring interaction in the leads, energy of the level on the dot with respect to Fermi energy and also on the coupling parameter of the two in an essential way. On the basis of numerical analysis we have compared the theoretical results of electronic spectral density with the recent transport existing theoretical analysis. QDs is the charging energy that may give rise to effects based on the interplay of Coulomb repulsion and superconducting correlations. It is, therefore, an interesting question to ask how the discrete level spectrum and the charging energy affect the DC and AC Josephson transport between two superconductors coupled via a QD. In the absence of a bias voltage, a finite DC current can be sustained in such an S-QD-S by the DC Josephson effect.

Keywords: quantum dots, S-QD-S junction, BCS superconductors, Anderson model

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Authors: Claudia H. Swanson, Jens Günster

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This research addresses the densification via compaction and sintering of naturally occurring rock salt which was motivated by the fact that in a saline environment rock salt is thermodynamically stable and does show a mechanical behavior compatible to the surrounding host material. The sintering of rock salt powder compacts was systematically investigated using temperature and pressure as variables for the sinter process. The behavior of rock salt showed segregations of anhydrite, CaSO4 - the major impurity found in rock salt, to the grain boundaries between individual sodium chloride crystals. Powder compacts treated with lower pressures lost those anhydrite segregates over time while high pressure treated compacts remained with anhydrite segregates. The density reached in this study is 2.008 g cm-3 corresponding to a density of 92.5 % of the theoretical value. This high density is making the sintering a promising technique for rock salt as applications in underground appropriate environment.

Keywords: rock salt, sinter, anhydrite, nuclear safety

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Authors: Neetu Malik, Sharad Shrivastava, Subrata Bandhu Ghosh

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Biocomposite materials were fabricated using mixing biodegradable polymer polycaprolactone (PCL) and Thermally Exfoliated Graphene Oxide (TEGO) through solution casting. Various samples of biocomposite films were prepared by varying the TEGO wt% composition by 0.1%, 0.5%, 1% and 1.5%. Thereafter, the density and water absorption of the composites were investigated with respect to immersion time in water. The moisture absorption results show that with an increase in weight percentage (from 0.1 to wt 1.5%) of TEGO within the biopolymer films, the absorption value of bio-nanocomposite films reduced rapidly from 27.4% to 14.3%. The density of hybrid composites also increased with increase in weight percentage of TEGO. These results indicate that the optimized composition of constituents in composite membrane could effectively reduce the anhydrous conditions of bio-composite film.

Keywords: thermally exfoliated graphene oxide, PCL, water absorption, density

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Authors: Hati̇ce Bi̇rtane, Asli Beyler Çi̇ği̇l, Memet Vezi̇r Kahraman

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Polyimide (PI) is one of the most important super-engineering materials because of its mechanical properties and its thermal stability. Electronic industry is the typical extensive applications of polyimides including interlayer insulation films, buffer coating, films, alpha-ray shielding films, and alignment films for liquid crystal displays. The mechanical and thermal properties of polymers are generally improved by the addition of inorganic additives. The challenges in this area of high-performance organic/inorganic hybrid materials are to obtain significant improvements in the interfacial adhesion between the polymer matrix and the reinforcing material since the organic matrix is relatively incompatible with the inorganic phase. In this study, modified nanodiamond was prepared from the reaction of nanodiamond and (3-Mercaptopropyl)trimethoxysilane. Poly(amic acid) was prepared from the reaction of 3,3',4,4'-Benzophenonetetracarboxylic dianhydride (BTDA) and 4,4'-Oxydianiline (ODA). Polyimide/modified nanodiamond hybrids were prepared by blending of poly(amic acid) and organically modified nanodiamond. The morphology of the Polyimide/ modified nanodiamond hybrids was characterized by scanning electron microscopy (SEM). Chemical structure of polyimide and Polyimide/modified nanodiamond hybrids was characterized by FTIR. FTIR results showed that the Polyimide/modified nanodiamond hybrids were successfully prepared. A thermal property of the Polyimide/modified nanodiamond hybrids was characterized by thermogravimetric analysis (TGA).

Keywords: hybrid materials, nanodiamond, polyimide, polymer

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Authors: Daniela Ailincai, Bogdan C. Simionescu, Luminita Marin

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Polymer dispersed liquid crystals (PDLC) represent an interesting class of materials which combine the ability of polymers to form films and their mechanical strength with the opto-electronic properties of liquid crystals. The proper choice of the two components - the liquid crystal and the polymeric matrix - leads to materials suitable for a large area of applications, from electronics to biomedical devices. The objective of our work was to obtain PDLC films with potential applications in the biomedical field, using poly vinyl alcohol boric acid (PVAB) as a polymeric matrix for the first time. Presenting all the tremendous properties of poly vinyl alcohol (such as: biocompatibility, biodegradability, water solubility, good chemical stability and film forming ability), PVAB brings the advantage of containing the electron deficient boron atom, and due to this, it should promote the liquid crystal anchoring and a narrow liquid crystal droplets polydispersity. Two different PDLC systems have been obtained, by the use of two liquid crystals, a nematic commercial one: 4-cyano-4’-penthylbiphenyl (5CB) and a new smectic liquid crystal, synthesized by us: buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate (BBO). The PDLC composites have been obtained by the encapsulation method, working with four different ratios between the polymeric matrix and the liquid crystal, from 60:40 to 90:10. In all cases, the composites were able to form free standing, flexible films. Polarized light microscopy, scanning electron microscopy, differential scanning calorimetry, RAMAN- spectroscopy and the contact angle measurements have been performed, in order to characterize the new composites. The new smectic liquid crystal has been characterized using 1H-NMR and single crystal X-ray diffraction and its thermotropic behavior has been established using differential scanning calorimetry and polarized light microscopy. The polarized light microscopy evidenced the formation of round birefringent droplets, anchored homeotropic in the first case and planar in the second, with a narrow dimensional polydispersity, especially for the PDLC containing the largest amount of liquid crystal, fact evidenced by SEM, also. The obtained values for the water to air contact angle showed that the composites have a proper hydrophilic-hydrophobic balance, making them potential candidates for bioapplications. More than this, our studies demonstrated that the water to air contact angle varies as a function of PVAB matrix crystalinity degree, which can be controled as a function of time. This fact allowed us to conclude that the use of PVAB as matrix for PDLCs obtaining offers the possibility to modulate their properties for specific applications.

Keywords: 4-cyano-4’-penthylbiphenyl, buthyl-p-[p’-n-octyloxy benzoyloxy] benzoate, contact angle, polymer dispersed liquid crystals, poly vinyl alcohol boric acid

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Authors: Waris Piyaphon, Sathaphorn O-Suwankul, Kittima Bootdee, Manit Nithitanakul

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Starch from rice was used as a filler in low density polyethylene in preparation of low density polyethylene/rice starch composite. This study aims to prepare LDPE/rice starch composites. Glycerol (GC) was used as a plasticizer in order to increase dispersion and reduce agglomeration of rice starch in low density polyethylene (LDPE) matrix. Low density polyethylene grafted maleic anhydride (LDPE-g-MA) was used as a compatibilizer to increase the compatibility between LDPE and rice starch. The content of rice starch was varied between 10, 20, and 30 %wt. Results indicated that increase of rice starch content reduced tensile strength at break, elongation, and impact strength of composites. LDPE-g-MA showed positive effect on mechanical properties which increased in tensile strength and impact properties as well as compatibility between rice starch and LDPE matrix. Moreover, the addition of LDPE-g-MA significantly improved the impact strength by 50% compared to neat composite. The incorporation of GC enhanced the processability of composite. Introduction of GC affected the viscosity after blending by reducing the viscosity at all shear rate. The presence of plasticizer increased the impact strength but decreased the stiffness of composite. Water absorption of the composite was increased when plasticizer was added.

Keywords: composite material, plastic starch composite, polyethylene composite, PE grafted maleic anhydride

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Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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Authors: E. M. D. Akuoko, Eliana Vasquez Osorio, Marcel Van Herk, Marianne Aznar

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Radiotherapy is an integral part of treatment for many patients with breast cancer. However, side effects can occur, e.g., fibrosis or erythema. If patients at higher risks of radiation-induced side effects could be identified before treatment, they could be given more individual information about the risks and benefits of radiotherapy. We hypothesize that breast density is correlated with the risk of side effects and present a novel method for automatic evaluation based on radiotherapy planning CT scans. Methods: 799 supine CT scans of breast radiotherapy patients were available from the REQUITE dataset. The methodology was first established in a subset of 114 patients (cohort 1) before being applied to the whole dataset (cohort 2). All patients were scanned in the supine position, with arms up, and the treated breast (ipsilateral) was identified. Manual experts contour available in 96 patients for both the ipsilateral and contralateral breast in cohort 1. Breast tissue was segmented using atlas-based automatic contouring software, ADMIRE® v3.4 (Elekta AB, Sweden). Once validated, the automatic segmentation method was applied to cohort 2. Breast density was then investigated by thresholding voxels within the contours, using Otsu threshold and pixel intensity ranges based on Hounsfield units (-200 to -100 for fatty tissue, and -99 to +100 for fibro-glandular tissue). Volumetric breast density (VBD) was defined as the volume of fibro-glandular tissue / (volume of fibro-glandular tissue + volume of fatty tissue). A sensitivity analysis was performed to verify whether calculated VBD was affected by the choice of breast contour. In addition, we investigated the correlation between volumetric breast density (VBD) and patient age and breast size. VBD values were compared between ipsilateral and contralateral breast contours. Results: Estimated VBD values were 0.40 (range 0.17-0.91) in cohort 1, and 0.43 (0.096-0.99) in cohort 2. We observed ipsilateral breasts to be denser than contralateral breasts. Breast density was negatively associated with breast volume (Spearman: R=-0.5, p-value < 2.2e-16) and age (Spearman: R=-0.24, p-value = 4.6e-10). Conclusion: VBD estimates could be obtained automatically on a large CT dataset. Patients’ age or breast volume may not be the only variables that explain breast density. Future work will focus on assessing the usefulness of VBD as a predictive variable for radiation-induced side effects.

Keywords: breast cancer, automatic image segmentation, radiotherapy, big data, breast density, medical imaging

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Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

Abstract:

A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Fatemeh Safdari, Amirnaser Shamkhali, Gholamabbas Parsafar

Abstract:

Carbon nanostructures are of great importance in academic research and industry, which can be mentioned to chemical sensors, catalytic processes, pharmaceutical and environmental issues. Common point in all of these applications is the occurrence of adsorption of molecules on these structures. Important carbon nanostructures in this case are mainly nanotubes and graphene. To modify pure graphene, recently, many experimental and theoretical studies have carried out to investigate of metal adsorption on graphene. In this work, the adsorption of CO molecules on pure graphene and on metal adatom on graphene surface has been simulated based on density functional theory (DFT). All calculations were performed by PBE functional and Troullier-Martins pseudopotentials. Density of states (DOS) for graphene-CO, graphen and CO around the Fermi energy has been moved and very small mixing occured which implies the physisorption of CO on the bare graphen surface. While, the results have showed that CO adsorption on transition-metal adatom on graphene surface is chemisorption.

Keywords: adsorption, density functional theory, graphene, metal adatom

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Authors: Yaping Zhao

Abstract:

In the present study, the exact solutions for the steady response of quasi-linear systems under non-white wide-band random excitation are considered by means of the stochastic averaging method. The non linearity of the systems contains the power-law damping and the cross-product term of the power-law damping and displacement. The drift and diffusion coefficients of the Fokker-Planck-Kolmogorov (FPK) equation after averaging are obtained by a succinct approach. After solving the averaged FPK equation, the joint probability density function and the marginal probability density function in steady state are attained. In the process of resolving, the eigenvalue problem of ordinary differential equation is handled by integral equation method. Some new results are acquired and the novel method to deal with the problems in nonlinear random vibration is proposed.

Keywords: random vibration, stochastic averaging method, FPK equation, transition probability density

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Authors: Moulay Driss Mellaoui, Abdallah Imjjad, Rachid Boutiddar, Haydar Mohammad-Salim, Nivedita Acharjee, Hassan Bourzi, Souad El Issami, Khalid Abbiche, Hanane Zejli

Abstract:

We have investigated the underlying molecular processes involved in the [3+2] cycloaddition (32CA) reactions between N-methyl-C-(2-furyl) nitrone and three acetylene derivatives: 4b, 5b, and 6b. For this investigation, we utilized molecular electron density theory (MEDT) and density functional theory (DFT) methods at the B3LYP-D3/6 31G (d) computational level. These 32CA reactions, which exhibit a zwitterionic (zw-type) nature, proceed through a one-step mechanism with activation enthalpies ranging from 8.80 to 14.37 kcal mol−1 in acetonitrile and ethanol solvents. When the nitrone reacts with phenyl methyl propiolate (4b), two regioisomeric pathways lead to the formation of two products: P1,5-4b and P1,4-4b. On the other hand, when the nitrone reacts with dimethyl acetylene dicarboxylate (5b) and acetylene dicarboxylic acid (but-2-ynedioic acid) (6b), it results in the formation of a single product. Through topological analysis, we can categorize the nitrone as a zwitterionic three-atom component (TAC). Furthermore, the analysis of conceptual density functional theory (CDFT) indices classifies the 32CA reactions of the nitrone with 4b, 5b, and 6b as forward electron density flux (FEDF) reactions. The study of bond evolution theory (BET) reveals that the formation of new C-C and C-O covalent bonds does not initiate in the transition states, as the intermediate stages of these reactions display pseudoradical centers of the atoms already involved in bonding.

Keywords: 4-isoxazoline, DFT/B3LYP-D3, regioselectivity, cycloaddition reaction, MEDT, ELF

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Authors: Reza Miresmaeili, Asghar Heydari Astaraee, Fereshteh Dolati

Abstract:

In the present study, an analytical model based on dislocation density model was developed to simulate grain refinement in surface mechanical attrition treatment (SMAT). The correlation between SMAT time and development in plastic strain on one hand, and dislocation density evolution, on the other hand, was established to simulate the grain refinement in SMAT. A dislocation density-based constitutive material law was implemented using VUHARD subroutine. A random sequence of shots is taken into consideration for multiple impacts model using Python programming language by utilizing a random function. The simulation technique was to model each impact in a separate run and then transferring the results of each run as initial conditions for the next run (impact). The developed Finite Element (FE) model of multiple impacts describes the coverage evolution in SMAT. Simulations were run to coverage levels as high as 4500%. It is shown that the coverage implemented in the FE model is equal to the experimental coverage. It is depicted that numerical SMAT coverage parameter is adequately conforming to the well-known Avrami model. Comparison between numerical results and experimental measurements for residual stresses and depth of deformation layers confirms the performance of the established FE model for surface engineering evaluations in SMA treatment. X-ray diffraction (XRD) studies of grain refinement, including resultant grain size and dislocation density, were conducted to validate the established model. The full width at half-maximum in XRD profiles can be used to measure the grain size. Numerical results and experimental measurements of grain refinement illustrate good agreement and show the capability of established FE model to predict the gradient microstructure in SMA treatment.

Keywords: dislocation density, grain refinement, severe plastic deformation, simulation, surface mechanical attrition treatment

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Authors: M. Mesrouk, A. Hadj Arab

Abstract:

This work allows highlight the effect of dust on the absorption of the optical spectrum on the photovoltaic module, the effect of the particles dust presence on the photovoltaic modules have been a microscopic scale studied with COMSOL Multi-physic software simulation. In this paper, we have supposed the dust layer as a diffraction network repetitive optical structure characterized by the spacing between particle which represented by 'd' and the simulated structure (air-dust particle-glass). In this study we can observe the relationship between the wavelength and the particle spacing, the simulation shows us that the maximum wavelength transmission value corresponding, λ0 = 400nm, which represent the spacing value between the particles dust, d = 400 nm. In fact, we can observe that while increase dust layer density the wavelength transmission value decrease, there is a relationship between the density and wavelength value which can be absorbed in a dusty photovoltaic panel.

Keywords: dust effect, photovoltaic module, spectral absorption, wavelength transmission

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Authors: Mohammad Amjad Sabir, Ishtiaq Khan, Shahid Ali, Umar Shabbir, Aneel Ahmad

Abstract:

Creep, being the main silt contributor to the rivers, is a slow, downhill flow of soils. The creep velocity is measured in millimeters to a couple of centimeters per year and is determined with the help of tilt caused by creep in the vertical objects and needs at least ten years to get a reliable creep velocity. This project was devised to calculate creep velocity using dendrochronology and looking for the difference of creep velocity registered by different trees on the same slope. It was concluded that dendrochronology provides a very reliable procedure of creep velocity estimation if ‘J’ shaped trees are studied for their horizontal movement and age. The age of these trees was measured using tree coring, and the horizontal movement was measured with a conventional tape. Using this procedure it does not require decades and additionally the data reveals the creep velocity for up to 150 years and even more instead of just a decade. It was also concluded that the creep velocity does not only depend on bulk density of soil hence no pronounced effect of bulk density was detected.

Keywords: creep velocity, Galiyat, Pakistan, dendrochronology, Nagri Bala

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Authors: Mahdi Almaky

Abstract:

The thermostabilization of High Density Polyethylene (HDPE) is realized through the action of primary antioxidant such as phenolic antioxidants and secondary antioxidants as aryl phosphates. The efficiency of two secondary antioxidants, commercially named Irgafos 168 and Weston 399, was investigated using different physical, mechanical, spectroscopic, and calorimetric methods. The effect of both antioxidants on the processing stability and long term stability of HDPE produced in Ras Lanuf oil and gas processing Company were measured and compared. The combination of Irgafos 168 with Irganox 1010, as used in smaller concentration, results in a synergetic effect against thermo-oxidation and protect better than the combination of Weston 399 with Irganox 1010 against the colour change at processing temperature and during long term oxidation process.

Keywords: thermostabilization, high density polyethylene, primary antioxidant, phenolic antioxidant, Irgafos 168, Irganox 1010, Weston 399

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Authors: Hiroyuki Aoki

Abstract:

Polymeric materials are often used in a form of thin film such as food wrap and surface coating. In such the applications, polymer films thinner than 100 nm have been often used. The thickness of such the ultra-thin film is less than the unperturbed size of a polymer chain; therefore, the polymer chain in an ultra-thin film is strongly constrained. However, the details on the constrained dynamics of polymer molecules in ultra-thin films are still unclear. In the current study, the segmental dynamics of single polymer chain was directly investigated by fluorescence microscopy. The individual chains of poly(alkyl methacrylate) labeled by a perylenediimide dye molecule were observed by a highly sensitive fluorescence microscope in a defocus condition. The translational and rotational diffusion of the center segment in a single polymer chain was directly analyzed. The segmental motion in a thin film with a thickness of 10 nm was found to be suppressed compared to that in a bulk state. The detailed analysis of the molecular motion revealed that the diffusion rate of the in-plane rotation was similar to the thin film and the bulk; on the other hand, the out-of-plane motion was restricted in a thin film. This result indicates that the spatial restriction in an ultra-thin film thinner than the unperturbed chain dimension alters the dynamics of individual molecules in a polymer system.

Keywords: polymer materials, single molecule, molecular motion, fluorescence microscopy, super-resolution techniques

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Authors: K. Silakaew, P. Thongbai

Abstract:

There is an increasing need for high–permittivity polymer–matrix composites (PMC) owing to the rapid development of the electronics industry. Unfortunately, the dielectric permittivity of PMC is still too low ( < 80). Moreover, the dielectric loss tangent is usually high (tan > 0.1) when the dielectric permittivity of PMC increased. In this research work, the dielectric properties of poly(vinylidene fluoride) (PVDF)–based nanocomposites can be significantly improved by incorporating by silver–BaTiO3 (Ag–BT) ceramic hybrid nanoparticles. The Ag–BT/PVDF nanocomposites were fabricated using various volume fractions of Ag–BT hybrid nanoparticles (fAg–BT = 0–0.5). The Ag–BT/PVDF nanocomposites were characterized using several techniques. The main phase of Ag and BT can be detected by the XRD technique. The microstructure of the Ag–BT/PVDF nanocomposites was investigated to reveal the dispersion of Ag–BT hybrid nanoparticles because the dispersion state of a filler can have an effect on the dielectric properties of the nanocomposites. It was found that the filler hybrid nanoparticles were well dispersed in the PVDF matrix. The phase formation of PVDF phases was identified using the XRD and FTIR techniques. We found that the fillers can increase the polar phase of a PVDF polymer. The fabricated Ag–BT/PVDF nanocomposites are systematically characterized to explain the dielectric behavior in Ag–BT/PVDF nanocomposites. Interestingly, largely enhanced dielectric permittivity (>240) and suppressed loss tangent (tan<0.08) over a wide frequency range (102 – 105 Hz) are obtained. Notably, the dielectric permittivity is slightly dependent on temperature. The greatly enhanced dielectric permittivity was explained by the interfacial polarization between the Ag and PVDF interface, and due to a high permittivity of BT particles.

Keywords: BaTiO3, PVDF, polymer composite, dielectric properties

Procedia PDF Downloads 167