Search results for: macro scale parameters

Authors: Ahmed Boufedah Badissi, Ahmed Beroual, Farid Boursas

Abstract:

This research aims to elucidate the role of coarse aggregate in influencing the fresh properties of normal-strength concrete. Specifically, it is aimed to identify the optimal gradation of coarse aggregate to enhance workability. While existing literature discusses the impact of aggregate granularity on concrete workability, more numerical data or models need to quantify the relationship between workability, granularity, and coarse aggregate shape. The main objective is to create a model that describes how coarse aggregate morphology contributes to fresh concrete properties. To investigate the effect of coarse aggregate gradation on Normal Strength Concrete (NSC) workability, various combinations of coarse aggregates (4/22.4 mm) were produced in the laboratory, utilizing three elementary classes: finer coarse aggregate 4/8 mm (Fca), medium coarse aggregate 8/16 mm (Mca), and coarser coarse aggregate 16/22.4 mm (Cca). We introduced a factor, FCR (Finer to Coarser coarse aggregate Ratio), as a numerical parameter to provide a quantitative evaluation and more detailed results analysis. Quantitative characterization parameters for coarse aggregate morphology were established, exploring the influence of particle size distribution, specific surface, and aggregate shape on workability. The research findings are significant for establishing correlations between coarse aggregate morphology and concrete properties. FCR emerges as a valuable tool for predicting the impact of aggregate gradation variations on concrete. The results of this study create a valuable database for construction professionals and concrete producers, affirming that the fresh properties of NSC are intricately linked to coarse aggregate morphology, particularly gradation.

Keywords: morphology, coarse aggregate, workability, fresh properties, gradation

Procedia PDF Downloads 45

Authors: Taha Anjamrooz, Sareh Rajabi, Hasan Mahmmud, Ghassan Abulebdeh

Abstract:

Water availability, as well as water demand, are not uniformly distributed in time and space. Numerous extra-large water diversion projects are launched in Amazon to alleviate water scarcities. This research utilizes statistical analysis to examine the temporal and spatial features of 40 extra-large water diversion projects in Amazon. Using a network analysis method, the correlation between seven major basins is measured, while the impact analysis method is employed to explore the associated economic, environmental, and social impacts. The study unearths that the development of water diversion in Amazon has witnessed four stages, from a preliminary or initial period to a phase of rapid development. It is observed that the length of water diversion channels and the quantity of water transferred have amplified significantly in the past five decades. As of 2015, in Amazon, more than 75 billion m³ of water was transferred amidst 12,000 km long channels. These projects extend over half of the Amazon Area. The River Basin E is currently the most significant source of transferred water. Through inter-basin water diversions, Amazon gains the opportunity to enhance the Gross Domestic Product (GDP) by 5%. Nevertheless, the construction costs exceed 70 billion US dollars, which is higher than any other country. The average cost of transferred water per unit has amplified with time and scale but reduced from western to eastern Amazon. Additionally, annual total energy consumption for pumping exceeded 40 billion kilowatt-hours, while the associated greenhouse gas emissions are assessed to be 35 million tons. Noteworthy to comprehend that ecological problems initiated by water diversion influence the River Basin B and River Basin D. Due to water diversion, more than 350 thousand individuals have been relocated, away from their homes. In order to enhance water diversion sustainability, four categories of innovative measures are provided for decision-makers: development of water tradeoff projects strategies, improvement of integrated water resource management, the formation of water-saving inducements, and pricing approach, and application of ex-post assessment.

Keywords: sustainability, water trade-off projects, environment, Amazon

Procedia PDF Downloads 121

Authors: Sandeep, A. Joshi, Kamal, Piu Dhibar, Parveen Kumar

Abstract:

In the present work strong ground motion has been simulated using a modified semi-empirical technique (MSET), with frequency dependent radiation pattern model. Joshi et al. (2014) have modified the semi-empirical technique to incorporate the modeling of strong motion generation areas (SMGAs). A frequency dependent radiation pattern model is applied to simulate high frequency ground motion more precisely. Identified SMGAs (Kurahashi and Irikura 2012) of the 2011 Tohoku earthquake (Mw 9.0) were modeled using this modified technique. Records are simulated for both frequency dependent and constant radiation pattern function. Simulated records for both cases are compared with observed records in terms of peak ground acceleration and pseudo acceleration response spectra at different stations. Comparison of simulated and observed records in terms of root mean square error suggests that the method is capable of simulating record which matches in a wide frequency range for this earthquake and bears realistic appearance in terms of shape and strong motion parameters. The results confirm the efficacy and suitability of rupture model defined by five SMGAs for the developed modified technique.

Keywords: strong ground motion, semi-empirical, strong motion generation area, frequency dependent radiation pattern, 2011 Tohoku Earthquake

Procedia PDF Downloads 520

Authors: Sagar Pandit

Abstract:

The present work focuses on the effect of various process parameters on the mechanical properties and microstructure of joints produced by continuous drive friction welding and linear friction welding. An attempt is made to investigate the feasibility of obtaining an acceptable weld joint between similar as well as dissimilar components and the microstructural changes have also been assessed once the good weld joints were considered (using Optical Microscopy and Scanning Electron Microscopy techniques). The impact of forging pressure in the microstructure of the weld joint has been studied and the variation in joint strength with varying forge pressure is analyzed. The weld joints were obtained two pair of dissimilar materials and one pair of similar materials, which are listed respectively as: Al-AA5083 & Cu-C101 (dissimilar), Aluminium alloy-3000 series & Mild Steel (dissimilar) and High Nitrogen Austenitic Stainless Steel pair (similar). Intermetallic phase formation was observed at the weld joints in the Al-Cu joint, which consequently harmed the properties of the joint (less tensile strength). It was also concluded that the increase in forging pressure led to both increment and decrement in the tensile strength of the joint depending on the similarity or dissimilarity of the components. The hardness was also observed to possess maximum as well as minimum values at the weld joint depending on the similarity or dissimilarity of workpieces. It was also suggested that a higher forging pressure is needed to obtain complete joining for the formation of the weld joint.

Keywords: forging pressure, friction welding, mechanical properties, microstructure

Procedia PDF Downloads 106

Authors: Youssouf Benmeriem

Abstract:

Shear strength of sandy soils has been considered as the important parameter to study the stability of different civil engineering structures when subjected to monotonic, cyclic and earthquake loading conditions. The proposed research investigated the effect of grading characteristics on the shear strength and mechanical behavior of granular classes of sands mixed with silt in loose and dense states (Dr = 15% and 90%). The laboratory investigation aimed at understanding the extent or degree at which shear strength of sand-silt mixture soil is affected by its gradation under static loading conditions. For the purpose of clarifying and evaluating the shear strength characteristics of sandy soils, a series of Casagrande shear box tests were carried out on different reconstituted samples of sand-silt mixtures with various gradations. The soil samples were tested under different normal stresses (100, 200 and 300 kPa). The results from this laboratory investigation were used to develop insight into the shear strength response of sand and sand-silt mixtures under monotonic loading conditions. The analysis of the obtained data revealed that the grading characteristics (D10, D50, Cu, ESR, and MGSR) have significant influence on the shear strength response. It was found that shear strength can be correlated to the grading characteristics for the sand-silt mixture. The effective size ratio (ESR) and mean grain size ratio (MGSR) appear as pertinent parameters to predict the shear strength response of the sand-silt mixtures for soil gradation under study.

Keywords: grading characteristics, granular classes of sands, mechanical behavior, sand-silt, shear strength

Procedia PDF Downloads 371

Authors: Lienjang Zeite

Abstract:

Over the past few years, Turkish and Indian series have been distributed worldwide to countless households and have found ardent followers across different age group. The series have captured numerous hearts. Turkish and Indian series have become not only one of the best means of entertainment and relaxation but also a platform to learn and appreciate shared emotions and social messages. The popularity of the series has created a kind of interest in representing human emotions and stories like never before. The demands for such series have totally shifted the entertainment industry at a new level. The interest and vibe created by the series have had impacts on various departments spanning from technology to the fashion industry and it has also become the bridge to connect viewers across the globe. The series have amassed avid admirers who find solace in the beautiful visual representations of human relationships whether it is of lovers, family or friendship. The influence of Turkish and Indian series in many parts of the world has created a cultural phenomenon that has taken viewers beyond cultural and language differences. From China to Latin America, Arab countries and the Caucasus region, the series have been accepted and loved by millions of viewers. It has captivated audiences ranging from grandmothers to teenagers. Issues like language barrier are easily solved by means of translation or dubbing making it easier to understand and enjoy the series. Turkey and India are two different countries with their own unique culture and traditions. Both the countries are exporters of series in large scale. The series function as a platform to reveal the plots and shed lights on characters of all kinds. Both the countries produce series that are more or less similar in nature. However, there are also certain issues that are shown in different ways and light. The paper will discuss how emotions are represented in Turkish and Indian series. It will also discuss the ways the series have impacted the art of representing emotions and characters in the digital era. The representation of culture through Turkish and Indian series will be explored as well. The paper will also locate the issue of gender roles and how relationships are forged or abandoned in the series. The issue of character formation and importance of moral factors will be discussed. It will also examine the formula and ingredients of turning human emotions and characters into a much loved series.

Keywords: characters, cultural phenomenon, emotions, Turkish and Indian series

Procedia PDF Downloads 124

Authors: Ndidi F. Amulu, Patrick E. Amulu, Gordian O. Mbah, Callistus N. Ude

Abstract:

Comparative analysis of the properties of melon seed, coconut fruit and their oil yield were evaluated in this work using standard analytical technique AOAC. The results of the analysis carried out revealed that the moisture contents of the samples studied are 11.15% (melon) and 7.59% (coconut). The crude lipid content are 46.10% (melon) and 55.15% (coconut).The treatment combinations used (leaching time, leaching temperature and solute: solvent ratio) showed significant difference (p < 0.05) in yield between the samples, with melon oil seed flour having a higher percentage range of oil yield (41.30 – 52.90%) and coconut (36.25 – 49.83%). The physical characterization of the extracted oil was also carried out. The values gotten for refractive index are 1.487 (melon seed oil) and 1.361 (coconut oil) and viscosities are 0.008 (melon seed oil) and 0.002 (coconut oil). The chemical analysis of the extracted oils shows acid value of 1.00mg NaOH/g oil (melon oil), 10.050mg NaOH/g oil (coconut oil) and saponification value of 187.00mg/KOH (melon oil) and 183.26mg/KOH (coconut oil). The iodine value of the melon oil gave 75.00mg I2/g and 81.00mg I2/g for coconut oil. A standard statistical package Minitab version 16.0 was used in the regression analysis and analysis of variance (ANOVA). The statistical software mentioned above was also used to optimize the leaching process. Both samples gave high oil yield at the same optimal conditions. The optimal conditions to obtain highest oil yield ≥ 52% (melon seed) and ≥ 48% (coconut seed) are solute - solvent ratio of 40g/ml, leaching time of 2hours and leaching temperature of 50oC. The two samples studied have potential of yielding oil with melon seed giving the higher yield.

Keywords: Coconut, Melon, Optimization, Processing

Procedia PDF Downloads 426

Authors: Miled Amel, Ben Maad Hatem, Askri Faouzi, Ben Nasrallah Sassi

Abstract:

Metal hydride water pumping system uses hydrogen as working fluid to pump water for low head and high discharge. The principal operation of this pump is based on the desorption of hydrogen at high pressure and its absorption at low pressure by a metal hydride. This work is devoted to study a concept of the dynamic behavior of a metal hydride pump using unsteady model and LaNi5 as hydriding alloy. This study shows that with MHP, it is possible to pump 340l/kg-cycle of water in 15 000s using 1 Kg of LaNi5 at a desorption temperature of 360 K, a pumping head equal to 5 m and a desorption gear ratio equal to 33. This study reveals also that the error given by the steady model, using LaNi5 is about 2%.A dimensional mathematical model and the governing equations of the pump were presented to predict the coupled heat and mass transfer within the MHP. Then, a numerical simulation is carried out to present the time evolution of the specific water discharge and to test the effect of different parameters (desorption temperature, absorption temperature, desorption gear ratio) on the performance of the water pumping system (specific water discharge, pumping efficiency and pumping time). In addition, a comparison between results obtained with steady and unsteady model is performed with different hydride mass. Finally, a geometric configuration of the reactor is simulated to optimize the pumping time.

Keywords: dynamic behavior, LaNi5, performance of water pumping system, unsteady model

Procedia PDF Downloads 188

Authors: M. A. Riurean, S. Heijnen, C. A. Knott, J. Makinde, D. Gotti, J. VD. Kamp

Abstract:

Objectives: The current study is done in preparation for a randomized controlled study investigating the effects of an implicit motor learning protocol implemented using an extension-supporting glove. It will explore different protocols to find out which is preferred when studying motor learn-ing in the chronic stroke population that struggles with hand spasticity. Design: This exploratory study will follow 24 individuals who have a chronic stroke (> 6 months) during their usual care journey. We will record the results of two 9-Hole Peg Tests (9HPT) done during their therapy ses-sions with a physiotherapist or in their home before and after 4 weeks of them wearing an exten-sion-supporting glove used to employ the to-be-studied protocols. The participants will wear the glove 3 times/week for one hour while performing their activities of daily living and record the times they wore it in a diary. Their experience will be monitored through telecommunication once every week. Subjects: Individuals that have had a stroke at least 6 months prior to participation, hand spasticity measured on the modified Ashworth Scale of maximum 3, and finger flexion motor control measured on the Motricity Index of at least 19/33. Exclusion criteria: extreme hemi-neglect. Methods: The participants will be randomly divided into 3 groups: one group using the glove in a pre-set way of decreasing support (implicit motor learning), one group using the glove in a self-controlled way of decreasing support (autonomous motor learning), and the third using the glove with constant support (as control). Before and after the 4-week period, there will be an intake session and a post-assessment session. Analysis: We will compare the results of the two 9HPTs to check whether the protocols were effective. Furthermore, we will compare the results between the three groups to find the preferred one. A qualitative analysis will be run of the experience of participants throughout the 4-week period. Expected results: We expect that the group using the implicit learning protocol will show superior results.

Keywords: implicit learning, hand spasticity, stroke, error minimization, motor task

Procedia PDF Downloads 44

Authors: Tuba Bagatarhan, Digdem Muge Siyez

Abstract:

The aim of this research is to examine the effects of the psycho-education program on problem-solving skills of parents of high school students in the risk group for Internet addiction. A quasi-experimental design based on the pre-test, post-test and follow up test including experimental and control groups was used in the research. The independent variable of the study was the parent psycho-education program on problem-solving skills; the dependent variable was the problem-solving skills of parents. The research was conducted with the parents of 52 tenth-grade students in the risk group for Internet addiction from two high schools and volunteer to participate research on evaluation of the effectiveness of internet addiction prevention psycho-education program within the scope of another study. In this study, as 26 students were in the experimental groups in the first-high school, the parents of these 26 students were asked if they would like to participate in the parent psycho-education program on parental problem-solving skills. The parents were volunteer to participate in parent psycho-education program assigned experimental group (n=13), the other parents assigned control group 1 (n=13) in the first high school. The parents of the 26 students were randomly assigned to the control group 2 (n=13) and control group 3 (n=13) in the second high school. The data of the research was obtained via the problem behavior scale - coping - parents form and demographic questionnaire. Four-session parent psycho-education program to cope with Internet addiction and other problem behaviors in their children was applied to the experimental group. No program was applied to the control group 1, control group 2 and control group 3. In addition, an internet addiction prevention psycho-education program was applied to the children of the parents in experimental group and control group 1 within the scope of another study. In the analysis of the obtained data, two-factor variance analysis for repeated measures on one factor was used. Bonferroni post-hoc test was used to find the source of intergroup difference. According to the findings, the psycho-education program significantly increases parents’ problem-solving abilities, and the increase has continued throughout the follow-up test.

Keywords: internet addiction, parents, prevention, psyho-education

Procedia PDF Downloads 168

Authors: Ilze Dimanta, Zane Rutkovska, Vizma Nikolajeva, Janis Kleperis, Indrikis Muiznieks

Abstract:

Majority of word’s steadily increasing energy consumption is provided by non-renewable fossil resources. Need to find an alternative energy resource is essential for further socio-economic development. Hydrogen is renewable, clean energy carrier with high energy density (142 MJ/kg, accordingly – oil has 42 MJ/kg). Biological hydrogen production is an alternative way to produce hydrogen from renewable resources, e.g. using organic waste material resource fermentation that facilitate recycling of sewage and are environmentally benign. Hydrogen gas is produced during the fermentation process of bacteria in anaerobic conditions. Bacteria are producing hydrogen in the liquid phase and when thermodynamic equilibrium is reached, hydrogen is diffusing from liquid to gaseous phase. Because of large quantities of available crude glycerol and the highly reduced nature of carbon in glycerol per se, microbial conversion of it seems to be economically and environmentally viable possibility. Such industrial organic waste product as crude glycerol is perspective for usage in feedstock for hydrogen producing bacteria. The process of biodiesel production results in 41% (w/w) of crude glycerol. The developed lab-scale test system (experimental bioreactor) with hydrogen micro-electrode (Unisense, Denmark) was used to determine hydrogen production yield and rate in the liquid phase. For hydrogen analysis in the gas phase the RGAPro-100 mass-spectrometer connected to the experimental test-system was used. Fermentative bacteria strains were tested for hydrogen gas production rates. The presence of hydrogen in gaseous phase was measured using mass spectrometer but registered concentrations were comparatively small. To decrease the hydrogen partial pressure in liquid phase reactor with a system for continuous bubbling with inert gas was developed. H2 production rate for the best producer in liquid phase reached 0,40 mmol H2/l, in gaseous phase - 1,32 mmol H2/l. Hydrogen production rate is time dependent – higher rate of hydrogen production is at the fermentation process beginning when concentration increases, but after three hours of fermentation, it decreases.

Keywords: bio-hydrogen, fermentation, experimental bioreactor, crude glycerol

Procedia PDF Downloads 512

Authors: Aadila Cayenne, Hinrich Uellendahl

Abstract:

Optimization of the anaerobic digestion (AD) process of halophytic plants is essential as the biomass contains a high salt content that can inhibit the AD process. Anaerobic co-digestion, together with manure, can resolve the inhibitory effects of saline biomass in order to dilute the salt concentration and establish favorable conditions for the microbial consortia of the AD process. The present laboratory study investigated the co-digestion of S. ramosissima (Sram), and pig manure (PM) in batch and semi-continuous stirred tank reactors (CSTR) under mesophilic (38oC) conditions. The 0.5L batch reactor experiments were in mono- and co-digestion of Sram: PM using different percent volatile solid (VS) based ratios (0:100, 15:85, 25:75, 35:65, 50:50, 100:0) with an inoculum to substate (I/R) ratio of 2. Two 5L CSTR systems (R1 and R2) were operated for 133 days with a feed of PM in a control reactor (R1) and with a co-digestion feed in an increasing Sram VS ratio of Sram: PM of 15:85, 25:75, 35:65 in reactor R2 at an organic loading rate (OLR) of 2 gVS/L/d and hydraulic retention time (HRT) of 20 days. After a start-up phase of 8 weeks for both reactors R1 and R2 with PM feed alone, the halophyte biomass Sram was added to the feed of R2 in an increasing ratio of 15 – 35 %VS Sram over an 11-week period. The process performance was monitored by pH, total solid (TS), VS, total nitrogen (TN), ammonium-nitrogen (NH4 – N), volatile fatty acids (VFA), and biomethane production. In the batch experiments, biomethane yields of 423, 418, 392, 365, 315, and 214 mL-CH4/gVS were achieved for mixtures of 0:100, 15:85, 25:75, 35:65, 50:50, 100:0 %VS Sram: PM, respectively. In the semi-continuous reactor processes, the average biomethane yields were 235, 387, and 365 mL-CH4/gVS for the phase of a co-digestion feed ratio in R2 of 15:85, 25:75, and 35:65 %VS Sram: PM, respectively. The methane yield of PM alone in R1 was in the corresponding phases on average 260, 388, and 446 mL-CH4/gVS. Accordingly, in the continuous AD process, the methane yield of the halophyte Sram was highest at 386 mL-CH4/gVS in the co-digestion ratio of 25:75%VS Sram: PM and significantly lower at 15:85 %VS Sram: PM (100 mL-CH4/gVS) and at 35:65 %VS Sram (214 mL-CH4/gVS). The co-digestion process showed no signs of inhibition at 2 – 4 g/L NH4 – N, 3.5 – 4.5 g/L TN, and total VFA of 0.45 – 2.6 g/L (based on Acetic, Propionic, Butyric and Valeric acid). This study demonstrates that a stable co-digestion process of S. ramosissima and pig manure can be achieved with a feed of 25%VS Sram at HRT of 20 d and OLR of 2 gVS/L/d.

Keywords: anaerobic co-digestion, biomethane production, halophytes, pig manure, salicornia ramosissima

Procedia PDF Downloads 130

Authors: Rodrigo A. Schiller, Rubens C. Da Silva, Kazuo Nishimoto, Claudio M. P. Sampaio

Abstract:

The need to reduce fossil fuels consumption due to the current scenario of trying to restrain global warming effects and reduce air pollution is dictating a series of transformations in shipping. This study introduces, at first, the changes of the regulatory framework concerning gas emissions control and fuel consumption efficiency on merchant ships. Secondly, the main operational procedures with high potential reduction of fuel consumption are discussed, with focus on existing vessels, using ship speed reduction procedure. This procedure shows the positive impacts on both operating costs reduction and also on energy efficiency increase if correctly applied. Finally, a numerical analysis of the fuel consumption variation with the speed was carried out for a Suezmax class oil tanker, which has been adapted to oil offloading operations for FPSOs in Brazilian offshore oil production systems. In this analysis, the discussions about the variations of vessel energy efficiency from small speed rate reductions and the possible applications of this improvement, taking into account the typical operating profile of the vessel in such a way to have significant economic impacts on the operation. This analysis also evaluated the application of two different numerical methods: one based only on regression equations produced by existing data, semi-empirical method, and another using a CFD simulations for estimating the hull shape parameters that are most relevant for determining fuel consumption, analyzing inaccuracies and impact on the final results.

Keywords: energy efficiency, offloading operations, speed reduction, Suezmax oil tanker

Procedia PDF Downloads 516

Authors: W. Nootcharin, S. Sujittra, K. Mayuso, K. Kornphimol, M. Rawiwan

Abstract:

Silver has distinct antibacterial properties and has been used as a component of commercial products with many applications. An increasing number of commercial products cause risks of silver effects for human and environment such as the symptoms of Argyria and the release of silver to the environment. Therefore, the detection of silver in the aquatic environment is important. The colorimetric chemosensor is designed by the basic of ligand interactions with a metal ion, leading to the change of signals for the naked-eyes which are very useful method to this application. Dithizone ligand is considered as one of the effective chelating reagents for metal ions due to its high selectivity and sensitivity of a photochromic reaction for silver as well as the linear backbone of dithizone affords the rotation of various isomeric forms. The present study is focused on the conformation and interaction of silver ion and silver nanoparticles (AgNPs) with dithizone using density functional theory (DFT). The interaction parameters were determined in term of binding energy of complexes and the geometry optimization, frequency of the structures and calculation of binding energies using density functional approaches B3LYP and the 6-31G(d,p) basis set. Moreover, the interaction of silver–dithizone complexes was supported by UV–Vis spectroscopy, FT-IR spectrum that was simulated by using B3LYP/6-31G(d,p) and 1H NMR spectra calculation using B3LYP/6-311+G(2d,p) method compared with the experimental data. The results showed the ion exchange interaction between hydrogen of dithizone and silver atom, with minimized binding energies of silver–dithizone interaction. However, the result of AgNPs in the form of complexes with dithizone. Moreover, the AgNPs-dithizone complexes were confirmed by using transmission electron microscope (TEM). Therefore, the results can be the useful information for determination of complex interaction using the analysis of computer simulations.

Keywords: silver nanoparticles, dithizone, DFT, NMR

Procedia PDF Downloads 194

Authors: Bensaid Boulekbache, Mostefa Hamrat, Mohamed Chemrouk, Sofiane Amziane

Abstract:

This study aims in examining the influence of the paste yield stress and compressive strength on the behaviour of fibre-reinforced concrete (FRC) versus direct shear. The parameters studied are the steel fibre contents, the aspect ratio of fibres and the concrete strength. Prismatic specimens of dimensions 10x10x35cm made of concrete of various yield stress reinforced with steel fibres hooked at the ends with three fibre volume fractions (i.e. 0, 0.5, and 1%) and two aspects ratio (65 and 80) were tested to direct shear. Three types of concretes with various compressive strength and yield stress were tested, an ordinary concrete (OC), a self-compacting concrete (SCC) and a high strength concrete (HSC). The concrete strengths investigated include 30 MPa for OC, 60 MPa for SCC and 80 MPa for HSC. The results show that the shear strength and ductility are affected and have been improved very significantly by the fibre contents, fibre aspect ratio and concrete strength. As the compressive strength and the volume fraction of fibres increase, the shear strength increases. However, yield stress of concrete has an important influence on the orientation and distribution of the fibres in the matrix. The ductility was much higher for ordinary and self-compacting concretes (concrete with good workability). The ductility in direct shear depends on the fibre orientation and is significantly improved when the fibres are perpendicular to the shear plane. On the contrary, for concrete with poor workability, an inadequate distribution and orientation of fibres occurred, leading to a weak contribution of the fibres to the direct shear behaviour.

Keywords: concrete, fibre, direct shear, yield stress, orientation, strength

Procedia PDF Downloads 526

Authors: Nesrine Benarous, Hassiba Bougueria, Nabila Moussa Slimane, Aouatef Cherouana

Abstract:

Crystal polymorphism is important for the synthesis of more potent and bioactive pharmaceutical compounds, including their different properties, such as packing arrangement and conformation. In fact, polymorphism plays a vital role in drug development. Different parameters affect the crystallization and give their degree of freedom. Severalproperties affected polymorphism, like kinetics, thermodynamics, spectroscopy, and mechanical property. Various techniques are used for characterizing polymorphs, are crystallography, morphology, phase transitions, molecular motion, and chemical environment. In this work, crystal structures of two polymorphs (I and II) of the Schiff base (SB) title compound were prepared by condensation reaction. The crystal structures of both polymorphs were determined by single X-ray analysis. The two polymorphs crystallize in two different space groups: P21/c for I and Pbca for II. The dihedral angles between the two phenyl rings are 4.81º for I and 82.27º for II. Both crystal structures are built on the basis of moderate and weak hydrogen bonds, 𝜋-stacking, and halogen⋯halogeninteractions. On the other hand, Hirshfeld surface (HS) analysis indicates that the most important contributions to the crystal packing for the two polymorphs are from Cl⋯H/H⋯Cl, H⋯H, and N⋯H/H⋯N contacts. These are followed by C⋯H/H⋯C for compound I and C⋯C and by C⋯H/H⋯C contacts for compound II. Afterwards, the in vitro antibacterial activity revealed that the SB have been found effective against G- bacteria Klebsiella pneumonia andG+ bacteria Staphylococcus aureuswith MIC value of14.37μg/mL. Moreover, the SBexhibited moderate toxicity against Brine Shrimp with LC50 value of 44.19μg/mL.

Keywords: polymorph, crystal structure, hirshfeld surface analysis, in vitro antibacterial activity, toxicity

Procedia PDF Downloads 94

Authors: Mustafa Gulsen, Mitat Koz

Abstract:

The aim of this study is to investigate the effect of lumbar stabilisation and proprioceptive neuromuscular facilitation (PNF) training on muscle strength and muscle endurance. The participants were 64 between the ages of 15-69 (53.04 ± 14.59), who were graded protrusion and bulging lumbar herniation according to 'Macnab Classification'. The participants were divided into four groups as each group had 16 participants: lumbar stabilitation training, PNF training, physical therapy and control groups. Sociodemographic features were recorded. Then their muscle strength tests (by isokinetic dynamometer (Cybex 770 Norm Lumex Inc, Ronkonkoma, NY, USA) were recorded. Before and after applications; visual analogue scale (VAS), Oswestry Disability İndex were applied by a physical therapist. The participants in lumbar stabilisation group performed 45 minutes, 5 days in a week for 4 weeks strength training with a physical therapist observation. The participants in PNF group performed 5 days in a week for 4 weeks with pelvic patterns of PNF by a physiotherapist. The participants in physical therapy group underwent Hotpack, Tens and Ultrasound therapy 5 days in a week for 4 weeks. The participants in control group didn’t take any training programme. After 4 weeks, the evaluations were repeated. There were significant increases in muscle strength and muscle endurance in lumbar stabilization training group. Also in pain intensity at rest and during activity in this group and in Oswestry disability index of patients, there were significant improvements (p < 0.05). In PNF training group likewise, there were significant improvements in muscle strength, muscle endurance, pain intensity at rest and with activity and in Oswestry disability index (p < 0.05). But improvements in the Lumbar Stabilization group was better than PNF Group. We found significant differences only in pain intensity at rest and with activity and in Oswestry disability index (p < 0.05). in the patients in Physical Therapy group. We think that appropriate physiotherapy and rehabilitation program which will be prepared for patients, to protect the waist circumference of patients with low muscle strength and low muscle endurance will increase muscle strength and muscle endurance. And it is expected that will reduce pain and will provide advances toward correcting functional disability of the patients.

Keywords: disc herniation, endurance, lumbar stabilitation exercises, PNF, strength

Procedia PDF Downloads 271

Authors: Lydia Booney Jyrwa, Rabindra Nath Bhuyan

Abstract:

Chocolate Mahseer (Neolissochilus hexagonolepis) is one of the Mahseer species inhabiting the North-eastern region of India and is a native species to the state of Meghalaya since it can adapt and grow well under the agro climatic conditions of the region. The natural population of this fish has been declining over the years from this part of the country. The natural population of this fish has been declining over the years from this part of the country. The fish is considered as one of the endangered species of the Mahseer group, which is having tremendous scope for culture, sports and tourism. But non-availability of quality seed is a hindrance for the culture of this fish. Thus induced breeding of the fish by hormonal administration with pituitary gland and synthetic hormones is the only reliable method to procure the pure seed of the fish. Chocolate Mahseer was successfully bred at the Hatchery Complex, St. Anthony’s College, Shillong, Meghalaya by using pituitary extract and synthetic hormone viz. ovaprim, ovatide and gonopro-FH. The dose standardized is @ 4mg/kg body weight to both male and female as 1st dose and @ 7.9 mg/kg body weight only to female as 2nd dose for pituitary extract and single dose @ 0.8 ml/kg body weight to female and @ 0.3 ml/kg body weight to male of both ovaprim and ovatide, while a single dose @ 0.9 ml/kg body weight to female and @ 0.3 ml/kg body weight to male of gonopro-FH. The doses are standardized after a series of trial and error experiment performed. The fecundity of the fish was 3500 eggs/ kg body weight. The final hatching percentage achieved was 60%. The survival rate of hatchling was 50% up to fry stage. The use of synthetic hormone and positive response of the fish to the hormone will go in long way for production of quality seed of the fish which in turn help in culture of the species as the fish can be a very good candidate species for the culture in the state. This study will also help in the ranching of the fish in the natural habitat leading to conservation of the species. However, the study should be continued further for the large scale production of seeds.

Keywords: chocolate mahseer, induced breeding, pituitary extract, synthetic hormone

Procedia PDF Downloads 223

Authors: Amit S. Chauhan, S. Mandal

Abstract:

The structural response of shear walls subjected to various types of loads is difficult to predict precisely. They are incorporated in buildings to resist lateral forces and support the gravity loads. The steel plate shear walls (SPSWs) are used as lateral load resisting systems for buildings and acts as an alternative to reinforced concrete shear walls (RCSWs). This paper compares the behavior of SPSW with the RCSW incorporated in a building frame having G+6 storey, located in Zone III, using the technique of Equivalent Static Method (ESM) as per Indian Standard Criteria For Earthquake Resistant Design of Structures IS 1893:2002. This paper intends to evaluate several parameters such as lateral displacement at tip, inter-storey drift, weight of steel and volume of concrete with the alteration of the shear wall with respect to different types viz., SPSW and RCSW. The strip model employed in this study is a widely accepted analytical tool for SPSW analysis. SPSW can be modelled as truss members by using a series of diagonal tension strips positioned at 45-degree angles. In this paper, by replacing the SPSWs with the tension strips, the G+6 building has been analyzed using STAAD.Pro V8i. Based on the present study, it can be concluded that structure with SPSWs is much better then structure with RCSWs.

Keywords: equivalent static method, inter-storey drift, lateral displacement, Steel plate shear wall, strip model

Procedia PDF Downloads 230

Authors: Karuna Sutthibenjakul, Sunisa Chatmongkolchart

Abstract:

Background: Postinduction hypotension is common and occurs more often in elderly patients. We aimed to determine risk factors for hypotension after induction among elderly patients (aged 65 years and older) who underwent elective non-cardiac surgery under general anesthesia. Methods: This cohort study analyzed from 580 data between December 2017 and July 2018 at a tertiary university hospital in south of Thailand. Hypotension is defined as more than 30% decrease mean arterial pressure from baseline after induction within 20 minutes or the use of vasopressive agent to treat low blood pressure. Intraoperative parameters were blood pressure and heart rate at T0, TEI, T5, T10, T15 and T20 (immediately after arrival at operating room, time after intubation, 5, 10, 15 and 20 minutes after intubation) respectively. Results: The median age was 72.5 (68, 78) years. A prevalence of post-induction hypotension was 64.8%. The highest prevalence (39.7%) was at 15 minutes after intubation. The association of post-induction hypotension is rising with diuretic drug as preoperative medication (P-value=0.016), hematocrit level (P-value=0.031) and the degree of hypertension immediately after arrival at operating room (P-value<0.001). Increasing fentanyl dosage during induction was associated with hypotension at intubation time (P-value<0.01) and 5 minutes after intubation (P-value<0.001). There was no statistically significant difference in the increasing propofol dosage. Conclusion: The degree of hypertension immediately after arrival at operating room and increasing fentanyl dosage were a significant risk factors for postinduction hypotension in elderly patients.

Keywords: risk factors, post-induction, hypotension, elderly

Procedia PDF Downloads 120

Authors: Abimbola M. Enitan, Josiah Adeyemo, Sheena Kumari, Feroz M. Swalaha, Faizal Bux

Abstract:

With the competing demand on water resources and water reuse, discharge of industrial effluents into the aquatic environment has become an important issue. Much attention has been placed on the impact of industrial wastewater on water bodies worldwide due to the accumulation of organic and inorganic matter in the receiving water bodies. The scope of the present work is to assess the physic-chemical composition of the wastewater produced from one of the brewery industry in South Africa. This is to estimate the environmental impact of its discharge into the receiving water bodies or the municipal treatment plant. The parameters monitored for the quantitative analysis of brewery wastewater include biological oxygen demand (BOD5), chemical oxygen demand (COD), total suspended solids, volatile suspended solids, ammonia, total oxidized nitrogen, nitrate, nitrite, phosphorus, and alkalinity content. In average, the COD concentration of the brewery effluent was 5340.97 mg/l with average pH values of 4.0 to 6.7. The BOD and the solids content of the wastewater from the brewery industry were high. This means that the effluent is very rich in organic content and its discharge into the water bodies or the municipal treatment plant could cause environmental pollution or damage the treatment plant. In addition, there were variations in the wastewater composition throughout the monitoring period. This might be as a result of different activities that take place during the production process, as well as the effects of the peak period of beer production on the water usage.

Keywords: Brewery wastewater, environmental pollution, industrial effluents, physic-chemical composition

Procedia PDF Downloads 438

Authors: Cora Bulmău

Abstract:

Soil polluted with hydrocarbons spills is a major global concern today. As a response to this issue, our experimental study tries to put in evidence the option to choose for one environmentally friendly method: use of the biochar, despite to a classical procedure; incineration of contaminated soil. Biochar represents the solid product obtained through the pyrolysis of biomass, its additional use being as an additive intended to improve the quality of the soil. The positive effect of biochar addition to soil is represented by its capacity to adsorb and contain petroleum products within its pores. Taking into consideration the capacity of the biochar to interact with organic contaminants, the purpose of the present study was to experimentally establish the effects of the addition of wooden biomass-derived biochar on a soil contaminated with oil. So, the contaminated soil was amended with biochar (10%) produced by pyrolysis in different operational conditions of the thermochemical process. After 25 days, the concentration of petroleum hydrocarbons from soil treated with biochar was measured. An analytical method as Soxhlet extraction was adopted to estimate the concentrations of total petroleum products (TPH) in the soil samples: This technique was applied to contaminated soil, also to soils remediated by incineration/adding biochar. The treatment of soil using biochar obtained from pyrolysis of the Birchwood led to a considerable decrease in the concentrations of petroleum products. The incineration treatments conducted under experimental stage to clean up the same soil, contaminated with petroleum products, involved specific parameters: temperature of about 600°C, 800°C and 1000°C and treatment time 30 and 60 minutes. The experimental results revealed that the method using biochar has registered values of efficiency up to those of all incineration processes applied for the shortest time.

Keywords: biochar, biomass, remediaton, soil, TPH

Procedia PDF Downloads 217

Authors: Bong-Su Sin, Jong-Kyu Kim, Se-Il Song, Kwon-Hee Lee

Abstract:

An automobile ball joint is a pivoting element used to allow rotational motion between the parts of the steering and suspension system. And it plays a role in smooth transmission of steering movement, also reduction in impact from the road surface. A ball joint is under various repeated loadings that may cause cracks and abrasion. This damages lead to safety problems of a car, as well as reducing the comfort of the driver's ride, and raise questions about the ball joint procedure and the whole durability of the suspension system. Accordingly, it is necessary to ensure the high durability and reliability of a ball joint. The structural responses of stiffness and pull-out strength were then calculated to check if the design satisfies the related requirements. The analysis was sequentially performed, following the caulking process. In this process, the deformation and stress results obtained from the analysis were saved. Sequential analysis has a strong advantage, in that it can be analyzed by considering the deformed shape and residual stress. The pull-out strength means the required force to pull the ball stud out from the ball joint assembly. The low pull-out strength can deteriorate the structural stability and safety performances. In this study, two design variables and two noise factors were set up. Two design variables were the diameter of a stud and the angle of a socket. And two noise factors were defined as the uncertainties of Young's modulus and yield stress of a seat. The DOE comprises 81 cases using these conditions. Robust design of a ball joint was performed using the DOE. The pull-out strength was generated from the uncertainties in the design variables and the design parameters. The purpose of robust design is to find the design with target response and smallest variation.

Keywords: ball joint, pull-out strength, robust design, design of experiments

Procedia PDF Downloads 406

Authors: Muhammad Ihsan Andi Dagong, Cece Sumantri, Ronny Rachman Noor, Rachmat Herman, Mohamad Yamin

Abstract:

Calpastatin involved in various physiological processes in the body such as the protein turnover, growth, fusion and mioblast migration. Thus, allegedly Calpastatin gene diversity (CAST) have an association with growth and potential use as candidate genes for growth trait. This study aims to identify the association between the genetic diversity of CAST gene with some growth properties such as body dimention (morphometric), body weight and daily weight gain in sheep. A total of 157 heads of Thin Tail Sheep (TTS) reared intensively for fattening purposes in the uniform environmental conditions. Overall sheep used were male, and maintained for 3 months. The parameters of growth properties were measured among others: body weight gain (ADG) (g/head / day), body weight (kg), body length (cm), chest circumference (cm), height (cm). All the sheep were genotyped by using PCR-SSCP (single strand conformational polymorphism) methods. CAST gene in locus fragment intron 5 - exon 6 were amplified with a predicted length of about 254 bp PCR products. Then the sheep were stratified based on their CAST genotypes. The result of this research showed that no association were found between the CAST gene variations with morphometric body weight, but there was a significant association with daily body weight gain (ADG) in sheep observed. CAST-23 and CAST-33 genotypes has higher average daily gain than other genotypes. CAST-23 and CAST-33 genotypes that carrying the CAST-2 and CAST-3 alleles potential to be used in the selection of the nature of the growth trait of the TTS sheep.

Keywords: body weight, calpastatin, genotype, growth trait, thin tail sheep

Procedia PDF Downloads 303

Authors: Hanen Khanchel, Karim Ben Kahla

Abstract:

Pharmaceutical companies are facing competition. Indeed, the price differences between competing products can be such that it becomes difficult to compensate them by differences in value added. The conditions of competition are no longer homogeneous for the players involved. The price of a product is a given that puts a company and its customer face to face. However, price fixing obliges the company to consider internal factors relating to production costs and external factors such as customer attitudes, the existence of regulations and the structure of the market on which the firm evolved. In setting the selling price, the company must first take into account internal factors relating to its costs: costs of production fall into two categories, fixed costs and variable costs that depend on the quantities produced. The company cannot consider selling below what it costs the product. It, therefore, calculates the unit cost of production to which it adds the unit cost of distribution, enabling it to know the unit cost of production of the product. The company adds its margin and thus determines its selling price. The margin is used to remunerate the capital providers and to finance the activity of the company and its investments. Production costs are related to the quantities produced: large-scale production generally reduces the unit cost of production, which is an asset for companies with mass production markets. This shows that small and medium-sized companies with limited market segments need to make greater efforts to ensure their profit margins. As a result, and faced with high and low market prices for raw materials and increasing staff costs, the company must seek to optimize its production time in order to reduce loads and eliminate waste. Then, the customer pays only value added. Thus, and based on this principle we decided to create a project that deals with the problem of waste in our company, and having as objectives the reduction of production costs and improvement of performance indicators. This paper presents the implementation of the Value Stream Mapping (VSM) project in a pharmaceutical company. It is structured as follows: 1) determination of the family of products, 2) drawing of the current state, 3) drawing of the future state, 4) action plan and implementation.

Keywords: VSM, waste, production time, kaizen, cartography, improvement

Procedia PDF Downloads 134

Authors: Jeni A. Popescu, Sorin G. Tomescu, Valeriu A. Vilag

Abstract:

The paper focuses on the potential methods of increasing the performance of a microturbine by combining additional elements available for utilization in a cogeneration plant. The activity is carried out within the framework of a project aiming to develop, manufacture and test a microturbine functional model with high potential in energetic industry utilization. The main goal of the analysis is to determine the parameters of the fluid flow passing through each section of the turbine, based on limited data available in literature for the focus output power range or provided by experimental studies, starting from a reference cycle, and considering different cycle options, including simple, intercooled and recuperated options, in order to optimize a small cogeneration plant operation. The studied configurations operate under the same initial thermodynamic conditions and are based on a series of assumptions, in terms of individual performance of the components, pressure/velocity losses, compression ratios, and efficiencies. The thermodynamic analysis evaluates the expected performance of the microturbine cycle, while providing a series of input data and limitations to be included in the development of the experimental plan. To simplify the calculations and to allow a clear estimation of the effect of heat transfer between fluids, the working fluid for all the thermodynamic evolutions is, initially, air, the combustion being modelled by simple heat addition to the system. The theoretical results, along with preliminary experimental results are presented, aiming for a correlation in terms of microturbine performance.

Keywords: cogeneration, microturbine, performance, thermodynamic analysis

Procedia PDF Downloads 155

Authors: Megan Weisbart

Abstract:

Background/Significance: The Intensive Care Unit (ICU) environment contributes to nurse burnout. Burnout costs include decreased employee compassion, missed workdays, worse patient outcomes, diminished job performance, high turnover, and higher organizational cost. Meaningful recognition, nurturing of interpersonal connections, and mindfulness-based interventions are associated with decreased burnout. The purpose of this quality improvement project was to decrease Neonatal ICU (NICU) nurse burnout using a Wellness Bundle that fosters meaningful recognition, interpersonal connections and includes mindfulness-based interventions. Methods: The Professional Quality of Life Scale Version 5 (ProQOL5) was used to measure burnout before Wellness Bundle implementation, after six months, and will be given yearly for three years. Meaningful recognition bundle items include Online submission and posting of staff shoutouts, recognition events, Nurses Week and Unit Practice Council member gifts, and an employee recognition program. Fostering of interpersonal connections bundle items include: Monthly staff games with prizes, social events, raffle fundraisers, unit blog, unit wellness basket, and a wellness resource sheet. Quick coherence techniques were implemented at staff meetings and huddles as a mindfulness-based intervention. Findings: The mean baseline burnout score of 14 NICU nurses was 20.71 (low burnout). The baseline range was 13-28, with 11 nurses experiencing low burnout, three nurses experiencing moderate burnout, and zero nurses experiencing high burnout. After six months of the Wellness Bundle Implementation, the mean burnout score of 39 NICU nurses was 22.28 (low burnout). The range was 14-31, with 22 nurses experiencing low burnout, 17 nurses experiencing moderate burnout, and zero nurses experiencing high burnout. Conclusion: A NICU Wellness Bundle that incorporated meaningful recognition, fostering of interpersonal connections, and mindfulness-based activities was implemented to improve work environments and decrease nurse burnout. Participation bias and low baseline response rate may have affected the reliability of the data and necessitate another comparative measure of burnout in one year.

Keywords: burnout, NICU, nurse, wellness

Procedia PDF Downloads 72

Authors: Vishal Mahale, Jayashree Bijwe, Sujeet K. Sinha

Abstract:

Range of thermal conductivity (TC) of Friction Materials (FMs) is a critical issue since lower TC leads to accumulation of frictional heat on the working surface, which results in excessive fade while higher TC leads to excessive heat flow towards back-plate resulting in boiling of brake-fluid leading to ‘spongy brakes’. This phenomenon prohibits braking action, which is most undesirable. Therefore, TC of the FMs across the brake pads should not be high while along the brake pad, it should be high. To enhance TC, metals in the forms of powder and fibers are used in the FMs. Apart from TC improvement, metals provide strength and structural integrity to the composites. Due to higher TC Copper (Cu) powder/fiber is a most preferred metallic ingredient in FM industry. However, Cu powders/fibers are responsible for metallic wear debris generation, which has harmful effects on aquatic organisms. Hence to get rid of a problem of metallic wear debris generation and to keep the positive effect of TC improvement, incorporation of Cu fabric in NAO brake-pads can be an innovative solution. Keeping this in view, two realistic multi-ingredient FM composites with identical formulations were developed in the form of brake-pads. Out of which one composite series consisted of a single layer of Cu fabric in the body of brake-pad and designated as C1 while double layer of Cu fabric was incorporated in another brake-pad series with designation of C2. Distance of Cu fabric layer from the back-plate was kept constant for C1 and C2. One more composite (C0) was developed without Cu fabric for the sake of comparison. Developed composites were characterized for physical properties. Tribological performance was evaluated on full scale inertia dynamometer by following JASO C 406 testing standard. It was concluded that Cu fabric successfully improved fade resistance by increasing conductivity of the composite and also showed slight improvement in wear resistance. Worn surfaces of pads and disc were analyzed by SEM and EDAX to study wear mechanism.

Keywords: brake inertia dynamometer, copper fabric, non-asbestos organic (NAO) friction materials, thermal conductivity enhancement

Procedia PDF Downloads 125

Authors: Adel Nikfarjam, Hamed Tayebi, Sadoullah Ebrahimnejad

Abstract:

This paper considers a two-echelon inventory system with a number of warehouses and a single retailer. The retailer replenishes its required items from warehouses, and assembles them into a single final product. We assume that each warehouse supplies only one kind of the raw material for the retailer. The demand process of the final product is assumed to be Poissson, and unsatisfied demand of the final product will be lost. The retailer applies one-for-one-period ordering policy which is also known as (1, T) ordering policy. In this policy the retailer orders to each warehouse a fixed quantity of each item at fixed time intervals, which the fixed quantity is equal to the utilization of the item in the final product. Since, this policy eliminates all demand uncertainties at the upstream echelon, the standard lot sizing model can be applied at all warehouses. In this paper, we calculate the total cost function of the inventory system. Then, based on this function, we present a procedure to obtain the optimal time interval between two consecutive order placements from retailer to the warehouses, and the optimal order quantities of warehouses (assuming that there are positive ordering costs at warehouses). Finally, we present some numerical examples, and conduct numerical sensitivity analysis for cost parameters.

Keywords: two-echelon supply chain, multi-vendor-single-buyer inventory system, lost sales, Poisson demand, one-for-one-period policy, lot sizing model

Procedia PDF Downloads 296

Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

Abstract:

Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

Procedia PDF Downloads 62