Search results for: Density functional

Authors: Zeinab Jokar, Mohammad Reza Moslemi

Abstract:

In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of band gap of a graphene nanoribbon by changing its width.

Keywords: Antidot, Atomistix ToolKit, Superlattice, Vacancy.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2662

Authors: V. Thamizh Arasan, G. Dhivya

Abstract:

Traffic Density provides an indication of the level of service being provided to the road users. Hence, there is a need to study the traffic flow characteristics with specific reference to density in detail. When the length and speed of the vehicles in a traffic stream vary significantly, the concept of occupancy, rather than density, is more appropriate to describe traffic concentration. When the concept of occupancy is applied to heterogeneous traffic condition, it is necessary to consider the area of the road space and the area of the vehicles as the bases. Hence, a new concept named, 'area-occupancy' is proposed here. It has been found that the estimated area-occupancy gives consistent values irrespective of change in traffic composition.

Keywords: Density Measurement, Heterogeneity, Occupancy, Traffic Flow.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3173

Authors: Chia-Feng Lu, Yuh-Jen Wang, Yu-Te Wu, Sui-Hing Yan

Abstract:

This study aimed at investigating whether the functional brain networks constructed using the initial EEG (obtained when patients first visited hospital) can be correlated with the progression of cognitive decline calculated as the changes of mini-mental state examination (MMSE) scores between the latest and initial examinations. We integrated the time–frequency cross mutual information (TFCMI) method to estimate the EEG functional connectivity between cortical regions, and the network analysis based on graph theory to investigate the organization of functional networks in aMCI. Our finding suggested that higher integrated functional network with sufficient connection strengths, dense connection between local regions, and high network efficiency in processing information at the initial stage may result in a better prognosis of the subsequent cognitive functions for aMCI. In conclusion, the functional connectivity can be a useful biomarker to assist in prediction of cognitive declines in aMCI.

Keywords: Cognitive decline, functional connectivity, MCI, MMSE.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2364

Authors: Dubbale Daniel A., Tsutsumi J.

Abstract:

This research work takes a different approach in the discussion of urban form impacts on transport planning and auto dependency. Concentrated density represented by effective density explains auto dependency better than the conventional density and it is proved to be a realistic density representative for the urban transportation analysis. Model analysis reveals that effective density is influenced by the shopping accessibility index as well as job density factor. It is also combined with the job access variable to classify four levels of Transport Activity Centers (TACs) in Okinawa, Japan. Trip attraction capacity and levels of the newly classified TACs was found agreeable with the amount of daily trips attracted to each center. The trip attraction data set was drawn from a 2007 Okinawa personal trip survey. This research suggests a planning methodology which guides logical transport supply routes and concentrated local development schemes.

Keywords: Effective density, urban form, auto-dependency, transport activity centers

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1462

Authors: Z. Haddad, C. Abid, O. Rahli, O. Margeat, W. Dachraoui, A. Mataoui

Abstract:

The present study aims to measure the volumetric mass density of NiPd-heptane nanofluids synthesized using a one step method known as thermal decomposition of metal-surfactant complexes. The particle concentration is up to 7.55g/l and the temperature range of the experiment is from 20°C to 50°C. The measured values were compared with the mixture theory and good agreement between the theoretical equation and measurement were obtained. Moreover, the available nanofluids volumetric mass density data in the literature is reviewed.

Keywords: NiPd nanoparticles, nanofluids, volumetric mass density, stability.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2610

Authors: John N. Haddad, Serge B. Provost

Abstract:

Given a bivariate normal sample of correlated variables, (Xi, Yi), i = 1, . . . , n, an alternative estimator of Pearson’s correlation coefficient is obtained in terms of the ranges, |Xi − Yi|. An approximate confidence interval for ρX,Y is then derived, and a simulation study reveals that the resulting coverage probabilities are in close agreement with the set confidence levels. As well, a new approximant is provided for the density function of R, the sample correlation coefficient. A mixture involving the proposed approximate density of R, denoted by hR(r), and a density function determined from a known approximation due to R. A. Fisher is shown to accurately approximate the distribution of R. Finally, nearly exact density approximants are obtained on adjusting hR(r) by a 7th degree polynomial.

Keywords: Sample correlation coefficient, density approximation, confidence intervals.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2216

Authors: Bachir Chemani, Rachid Halfaoui

Abstract:

The aim of work is to define the distribution density of winding yarn on cylindrical and conical bobbins. It is known that parallel winding gives greater density and more regular distribution, but the unwinding of yarn is much more difficult for following process. The conical spool has an enormous advantage during unwinding and may contain a large amount of yarns, but the density distribution is not regular because of difference in diameters. The variation of specific density over the reel height is explained generally by the sudden change of winding speed due to direction movement variation of yarn. We determined the conditions of uniform winding and developed a calculate model to the change of the specific density of winding wire over entire spool height.

Keywords: Textile, cylindrical bobbins, conical bobbins, parallel winding, cross winding.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3559

Authors: Todor Penchev, Dimitar Karastojanov, Ivan Altaparmakov

Abstract:

For briquetting of metal chips are used hydraulic and mechanical presses. The density of the briquettes in this case is about 60% - 70 % on the density of solid metal. In this work are presented the results of experimental studies for briquetting of metal chips, by using a new technology for impact briquetting. The used chips are by Armco iron, steel, cast iron, copper, aluminum and brass. It has been found that: (i) in a controlled impact the density of the briquettes can be increases up to 30%; (ii) at the same specific impact energy Es (J/sm3) the density of the briquettes increases with increasing of the impact velocity; (iii), realization of the repeated impact leads to decrease of chips density, which can be explained by distribution of elastic waves in the briquette.

Keywords: Briquetting, chips briquetting, impact briquetting.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1368

Authors: Ali Khourgami, Masoud Rafiee, Korous Rahmati, Ghobad Bour

Abstract:

In order to study the effect of plant density and competition of wheat with field bindweed (Convolvulus arvensis) on yield and agronomical properties of wheat(Triticum Sativum) in irrigated conditions, a factorial experiment as the base of complete randomize block design in three replication was conducted at the field of Kamalvand in khoramabad (Lorestan) region of Iran during 2008-2009. Three plant density (Factor A=200, 230 and 260kg/ha) three cultivar (Factor B=Bahar,Pishtaz and Alvand) and weed control (Factor C= control and no control of weeds)were assigned in experiment. Results show that: Plant density had significant effect (statistically) on seed yield, 1000 seed weight, weed density and dry weight of weeds, seed yield and harvest index had been meaningful effect for cultivars. The interaction between plant density and cultivars for weed density, seed yield, thousand seed weight and harvest index were significant. 260 kg/ha (plant density) of wheat had more effect on increasing of seed yield in Bahar cultivar wheat in khoramabad region of Iran.

Keywords: Convolvulus arvensis, plant density, Triticumsativum, weed density, Wheat

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2050

Authors: B. O. Ayinmode, I. P. Farai

Abstract:

The levels of maximum power density of GSM signals in the cities of Lagos, Ibadan and Abuja were studied. Measurements were made with a calibrated hand held spectrum analyzer 200m away from 271 base stations, at 1.2m to the ground level. The maximum GSM 900 signal power density was 139.63μW/m2 in Lagos, 162.49μW/m2 in Ibadan and 5411.26μW/m2 in Abuja. Also, the maximum GSM 1800 signal power density was 296.82μW/m2 in Lagos, 116.82μW/m2 in Ibadan and 1263.00μW/m2 in Abuja. The level of power density of GSM 900 and GSM 1800 signals in the cities of Lagos, Ibadan and Abuja are far less than the recommended value of 4.5W/m2 for GSM 900 and 9.0 W/m2 for GSM 1800 by the ICNRP guideline. It can be concluded that exposure to GSM signals in these cities cannot contribute to the health detriments caused by thermal effects of radiofrequency radiation.

Keywords: Radiofrequency, power density, radiation exposure, base stations (BTS).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2512

Authors: Nieves M. C. Talavera-Prieto, Abel G. M. Ferreira, António T. G. Portugal, Rui J. Moreira, Jaime B. Santos

Abstract:

The knowledge of biodiesel density over large ranges of temperature and pressure is important for predicting the behavior of fuel injection and combustion systems in diesel engines, and for the optimization of such systems. In this study, cottonseed oil was transesterified into biodiesel and its density was measured at temperatures between 288 K and 358 K and pressures between 0.1 MPa and 30 MPa, with expanded uncertainty estimated as ±1.6 kg⋅m- 3. Experimental pressure-volume-temperature (pVT) cottonseed data was used along with literature data relative to other 18 biodiesels, in order to build a database used to test the correlation of density with temperarure and pressure using the Goharshadi–Morsali–Abbaspour equation of state (GMA EoS). To our knowledge, this is the first that density measurements are presented for cottonseed biodiesel under such high pressures, and the GMA EoS used to model biodiesel density. The new tested EoS allowed correlations within 0.2 kg·m-3 corresponding to average relative deviations within 0.02%. The built database was used to develop and test a new full predictive model derived from the observed linear relation between density and degree of unsaturation (DU), which depended from biodiesel FAMEs profile. The average density deviation of this method was only about 3 kg.m-3 within the temperature and pressure limits of application. These results represent appreciable improvements in the context of density prediction at high pressure when compared with other equations of state.

Keywords: Biodiesel, Correlation, Density, Equation of state, Prediction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3469

Authors: Abdul H, Jamil A, Imran U

Abstract:

Conflicts identification among non-functional requirements is often identified intuitively which impairs conflict analysis practices. This paper proposes a new model to identify conflicts among non-functional requirements. The proposed model uses the matrix mechanism to identify the quality based conflicts among non-functional requirements. The potential conflicts are identified through the mapping of low level conflicting quality attributes to low level functionalities using the matrices. The proposed model achieves the identification of conflicts among product and process requirements, identifies false conflicts, decreases the documentation overhead, and maintains transparency of identified conflicts. The attributes are not concomitantly taken into account by current models in practice.

Keywords: Conflict Identification, Matrix Maps, Non-functional Requirements, Requirements Analysis, Software Engineering

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2509

Authors: Vinod Tejwani, Bhavik Suthar

Abstract:

The paper presents and energy management strategy for a Fuel Cell, Ultracapacitor, Battery hybrid energy storage. The fuel cell hybrid power system is devised basically for emergency power requirements and transient load applications. The power density of an Ultracapacitor is extremely high and for a battery, it is subtle. For a fuel cell, the value of power density is medium. The energy density of these three stockpiling gadgets is contrarily about the power density, i.e. for the batteries it is most noteworthy and for the Ultracapacitor, it is least. Again the fuel cell has medium energy density. The proposed Energy Management System (EMS) is trying to rationalize these parameters viz. the energy density and power density. The working of the fuel cell, Ultracapacitor and batteries are controlled in a coordinated environment in a way to optimize the energy usage and at the same time to get benefits of power and energy density from their inherent characteristics. MATLAB/ Simulink® based test bench is created by using different DC-DC converters for all energy storage devices and an inverter is modeled to supply the time varying load. The results provided by the EMS are highly satisfactory that proves its adaptability.

Keywords: Energy Management System (EMS) Fuel Cell, Ultracapacitor, Battery, Hybrid Energy Storage.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1682

Authors: Nermin Sökmen

Abstract:

An effort estimation model is needed for softwareintensive projects that consist of hardware, embedded software or some combination of the two, as well as high level software solutions. This paper first focuses on functional decomposition techniques to measure functional complexity of a computer system and investigates its impact on system development effort. Later, it examines effects of technical difficulty and design team capability factors in order to construct the best effort estimation model. With using traditional regression analysis technique, the study develops a system development effort estimation model which takes functional complexity, technical difficulty and design team capability factors as input parameters. Finally, the assumptions of the model are tested.

Keywords: Functional complexity, functional decomposition, development effort, technical difficulty, design team capability, regression analysis.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2232

Authors: Shi Chen, Zi Y. Chen, Jian K. Dan, Jian F. Li

Abstract:

Evolution of one-dimensional electron system under high-energy-density (HED) conditions is investigated, using the principle of least-action and variational method. In a single-mode modulation model, the amplitude and spatial wavelength of the modulation are chosen to be general coordinates. Equations of motion are derived by considering energy conservation and force balance. Numerical results show that under HED conditions, electron density modulation could exist. Time dependences of amplitude and wavelength are both positively related to the rate of energy input. Besides, initial loading speed has a significant effect on modulation amplitude, while wavelength relies more on loading duration.

Keywords: Electron density modulation, HED, nonlinearevolution, plasmas.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1371

Authors: Hans H. Diel

Abstract:

In this paper a functional interpretation of quantum theory (QT) with emphasis on quantum field theory (QFT) is proposed. Besides the usual statements on relations between a functions initial state and final state, a functional interpretation also contains a description of the dynamic evolution of the function. That is, it describes how things function. The proposed functional interpretation of QT/QFT has been developed in the context of the author-s work towards a computer model of QT with the goal of supporting the largest possible scope of QT concepts. In the course of this work, the author encountered a number of problems inherent in the translation of quantum physics into a computer program. He came to the conclusion that the goal of supporting the major QT concepts can only be satisfied, if the present model of QT is supplemented by a "functional interpretation" of QT/QFT. The paper describes a proposal for that

Keywords: Computability, Foundation of Quantum Mechanics, Measurement Problem, Models of Physics.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1989

Authors: Vanchai Laemlaksakul

Abstract:

This research was to evaluate a technical feasibility of making single-layer experimental particleboard panels from bamboo waste (Dendrocalamus asper Backer) by converting bamboo into strips, which are used to make laminated bamboo furniture. Variable factors were density (600, 700 and 800 kg/m3) and temperature of condition (25, 40 and 55 °C). The experimental panels were tested for their physical and mechanical properties including modulus of elasticity (MOE), modulus of rupture (MOR), internal bonding strength (IB), screw holding strength (SH) and thickness swelling values according to the procedures defined by Japanese Industrial Standard (JIS). The test result of mechanical properties showed that the MOR, MOE and IB values were not in the set criteria, except the MOR values at the density of 700 kg/m3 at 25 °C and at the density of 800 kg/m3 at 25 and 40 °C, the IB values at the density of 600 kg/m3, at 40 °C, and at the density of 800 kg/m3 at 55 °C. The SH values had the test result according to the set standard, except with the density of 600 kg/m3, at 40 and 55 °C. Conclusively, a valuable renewable biomass, bamboo waste could be used to manufacture boards.

Keywords: Particleboard, Urea Formaldehyde Resin, BambooWaste

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5566

Authors: Laurent Thiry, Michel Hassenforder

Abstract:

This paper presents a general approach to implement efficient queries’ interpreters in a functional programming language. Indeed, most of the standard tools actually available use an imperative and/or object-oriented language for the implementation (e.g. Java for Jena-Fuseki) but other paradigms are possible with, maybe, better performances. To proceed, the paper first explains how to model data structures and queries in a functional point of view. Then, it proposes a general methodology to get performances (i.e. number of computation steps to answer a query) then it explains how to integrate some optimization techniques (short-cut fusion and, more important, data transformations). It then compares the functional server proposed to a standard tool (Fuseki) demonstrating that the first one can be twice to ten times faster to answer queries.

Keywords: Data transformation, functional programming, information server, optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 695

Authors: N. Tuncbag, T. Haliloglu, O. Keskin

Abstract:

Understanding the cell's large-scale organization is an interesting task in computational biology. Thus, protein-protein interactions can reveal important organization and function of the cell. Here, we investigated the correspondence between protein interactions and function for the yeast. We obtained the correlations among the set of proteins. Then these correlations are clustered using both the hierarchical and biclustering methods. The detailed analyses of proteins in each cluster were carried out by making use of their functional annotations. As a result, we found that some functional classes appear together in almost all biclusters. On the other hand, in hierarchical clustering, the dominancy of one functional class is observed. In brief, from interaction data to function, some correlated results are noticed about the relationship between interaction and function which might give clues about the organization of the proteins.

Keywords: Pair-wise protein interactions, DIP database, functional correlations, biclustering.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1656

Authors: Jamaliah Mohd. Yusof, Rosidah Musa, Sofiah Abd. Rahman

Abstract:

With previous studies that examined the importance of functional store image and CSR, this study is aimed at examining their effects in the self-congruity model in influencing store loyalty. In particular, this study developed and tested a structural model in the context of retailing industry on the self-congruity theory. Whilst much of the self-congruity studies have incorporated functional store image, there has been lack of studies that examined social responsibility image of retail stores in the self-congruity studies. Findings indicate that self-congruity influence on store loyalty was mediated by both functional store image and social responsibility image. In influencing store loyalty, the findings have shown that social responsibility image has a stronger influence on store loyalty than functional store image. This study offers important findings and implications for future research as it presents a new framework on the importance of social responsibility image.

Keywords: Self-congruity, functional store image, social responsibility image, store loyalty

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2299

Authors: Na Li, Samuel Simon Araya, Søren Knudsen Kær

Abstract:

This study investigates the effects of operating parameters of different current density, temperature and pressure on the performance of a proton exchange membrane (PEM) water electrolysis stack. A 7-cell PEM water electrolysis stack was assembled and tested under different operation modules. The voltage change and polarization curves under different test conditions, namely current density, temperature and pressure, were recorded. Results show that higher temperature has positive effect on overall stack performance, where temperature of 80 ℃ improved the cell performance greatly. However, the cathode pressure and current density has little effect on stack performance.

Keywords: PEM electrolysis stack, current density, temperature, pressure.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 973

Authors: Elteyeb Eljack, Takashi Ohta

Abstract:

Proper orthogonal decomposition (POD) is used to reconstruct spatio-temporal data of a fully developed turbulent channel flow with density variation at Reynolds number of 150, based on the friction velocity and the channel half-width, and Prandtl number of 0.71. To apply POD to the fully developed turbulent channel flow with density variation, the flow field (velocities, density, and temperature) is scaled by the corresponding root mean square values (rms) so that the flow field becomes dimensionless. A five-vector POD problem is solved numerically. The reconstructed second-order moments of velocity, temperature, and density from POD eigenfunctions compare favorably to the original Direct Numerical Simulation (DNS) data.

Keywords: Pattern Recognition, POD, Coherent Structures, Low dimensional modelling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1329

Authors: Yuan Zhang

Abstract:

Along with large population and great demands for urban development, Hong Kong serves as a typical high-density city with multiple altitudes, advanced three-dimensional traffic system, rich city open space, etc. This paper contributes to analyzing its complex urban form and evolution mechanism from three aspects of view, separately as time, space and buildings. Taking both horizontal and vertical dimension into consideration, this paper provides a perspective to explore the fascinating process of growing and space folding in the urban form of high-density city, also as a research reference for related high-density urban design.

Keywords: Evolution mechanism, high-density city, Hong Kong, urban form.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1144

Authors: Darren C-W. Tan, Partha Roy

Abstract:

To determine if the murine insulinoma, β-TC-6, is a suitable substitute for primary pancreatic β-cells in the study of β- cell functional heterogeneity, we used three distinct functional assays to ascertain the cell line-s response to glucose or a glucose analog. These assays include: (i) a 2-NBDG uptake assay; (ii) a calcium influx assay, and; (iii) a quinacrine secretion assay. We show that a population of β-TC-6 cells endocytoses the glucose analog, 2- NBDG, at different rates, has non-uniform intracellular calcium ion concentrations and releases quinacrine at different rates when challenged with glucose. We also measured the Km for β-TC-6 glucose uptake to be 46.9 mM and the Vm to be 8.36 x 10-5 mmole/million cells/min. These data suggest that β-TC-6 might be used as an alternative to primary pancreatic β-cells for the study of glucose-dependent β-cell functional heterogeneity.

Keywords: 2-NBDG, Fura-2/AM, functional heterogeneity, quinacrine.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3677

Authors: Marinela Istrate, Ionel Muntele, Alexandru Bănică

Abstract:

The authors propose the identification, analysis and prognosis of the quantitative and qualitative evolution of the elderly population in the functional urban areas. The present paper takes into account the analysis of some representative indicators (the weight of the elderly population, ageing index, dynamic index of economic ageing of productive population etc.) and the elaboration of an integrated indicator that would help differentiate the population ageing forms in the 48 functional urban areas that were defined based on demographic and social-economic criteria for all large and medium cities in Romania.

Keywords: Ageing, demographic transition, functional urban areas, spatial resilience.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2013

Authors: S. M. Lee, J. H. Park, H. Y. Jung

Abstract:

This paper presents a method for functional projective H∞ synchronization problem of chaotic systems with external disturbance. Based on Lyapunov theory and linear matrix inequality (LMI) formulation, the novel feedback controller is established to not only guarantee stable synchronization of both drive and response systems but also reduce the effect of external disturbance to an H∞ norm constraint.

Keywords: Chaotic systems, functional projective H∞ synchronization, LMI.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1254

Authors: Han-hua Lu, Shun-yi Zhang, Yong Zheng, Ya-shi Wang, Li-juan Min

Abstract:

From the perspective of system of systems (SoS) and emergent behaviors, this paper describes large scale application software systems, and proposes framework methods to further depict systems- functional and non-functional characteristics. Besides, this paper also specifically discusses some functional frameworks. In the end, the framework-s applications in system disintegrations, system architecture and stable intermediate forms are additionally dealt with in this in building, deployment and maintenance of large scale software applications.

Keywords: application software system, framework methods, system of systems, emergent behaviors

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1341

Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1900

Authors: Sim Hui Tee, Rodziah Atan, Abdul Azim Abd Ghani

Abstract:

Inner class is a specialized class that defined within a regular outer class. It is used in some programming languages such as Java to carry out the task which is related to its outer class. The functional relatedness between inner class and outer class is always the main concern of defining an inner class. However, excessive use of inner class could sabotage the class cohesiveness. In addition, excessive inner class leads to the difficulty of software maintenance and comprehension. Our research aims at determining the minimum threshold for the functional relatedness of inner-outer class. Such minimum threshold is a guideline for removing or relocating the excessive inner class. Our research provides a feasible way for software developers to define inner classes which are functionally related to the outer class.

Keywords: Cohesion, functional relatedness of inner-outer class, inner class.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1536

Authors: Hafeez Syed, Harit Naik

Abstract:

Reservoirs with high pressures and temperatures (HPHT) that were considered to be atypical in the past are now frequent targets for exploration. For downhole oilfield drilling tools and components, the temperature and pressure affect the mechanical strength. To address this issue, a finite element analysis (FEA) for 206.84 MPa (30 ksi) pressure and 165°C has been performed on the pressure housing of the measurement-while-drilling/logging-whiledrilling (MWD/LWD) density tool. The density tool is a MWD/LWD sensor that measures the density of the formation. One of the components of the density tool is the pressure housing that is positioned in the tool. The FEA results are compared with the experimental test performed on the pressure housing of the density tool. Past results show a close match between the numerical results and the experimental test. This FEA model can be used for extreme HPHT and ultra HPHT analyses, and/or optimal design changes.

Keywords: FEA, HPHT, M/LWD, Oil & Gas

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1609