Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 851

Search results for: Amine functionalized carbon nanotube

851 Effect of Amine-Functionalized Carbon Nanotubes on the Properties of CNT-PAN Composite Nanofibers

Authors: O. Eren, N. Ucar, A. Onen, N. Kızıldag, O. F. Vurur, N. Demirsoy, I. Karacan

Abstract:

PAN nanofibers reinforced with amine functionalized carbon nanotubes. The effect of amine functionalization and the effect of concentration of CNT on the conductivity and mechanical and morphological properties of composite nanofibers were examined. 1%CNT-NH2 loaded PAN/CNT nanofiber showed the best mechanical properties. Conductivity increased with the incorporation of carbon nanotubes. While an increase of concentration of CNT increases the diameter of nanofiber, the use of functionalized CNT results to decrease of diameter of nanofiber.

Keywords: Amine functionalized carbon nanotube, electrospinning, nanofiber, polyacrylonitrile.

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850 Insertion of Thiazolidinediones into Carbon Nanotube

Authors: Behnoush Zare, Mojdeh Akhavan, Ahmad Reza Dehpour

Abstract:

In this study we investigate the insertion of pioglitazone, a Thiazolidinedione, into the two different sizes of Carbon nanotub. It was shown that the insertion of pioglitazone into the carbon nanotube in a water solute environment could be related to the diameter of the nanotube and in the flow of the waters via hydrophilic interactions. This encapsulated drug-carbon nanotube molecule can be further applicable in other investigations in target therapy with these agents regarding to reduce their potential toxic effects.

Keywords: Carbon Nanotube, MD Simulation, Thiazolidinedions

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849 A Finite Element Model for Estimating Young-s Modulus of Carbon Nanotube Reinforced Composites Incorporating Elastic Cross-Links

Authors: Kaveh PourAkbar Saffar, Nima JamilPour, Ahmad Raeisi Najafi, Gholamreza Rouhi, Ahmad Reza Arshi, Abdolhossein Fereidoon

Abstract:

The presence of chemical bonding between functionalized carbon nanotubes and matrix in carbon nanotube reinforced composites is modeled by elastic beam elements representing covalent bonding characteristics. Neglecting other reinforcing mechanisms in the composite such as relatively weak interatomic Van der Waals forces, this model shows close results to the Rule of Mixtures model-s prediction for effective Young-s modulus of a Representative Volume Element of composite for small volume fractions (~1%) and high aspect ratios (L/D>200) of CNTs.

Keywords: Beam Element, Carbon Nanotube Reinforced Composite, Cross-link, Young's modulus.

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848 Polyethylenimine Coated Carbon Nanotube for Detecting Rancidity in Frying Oil

Authors: Vincent Lau Chun Fai, Yang Doo Lee, Kyongsoo Lee, Keun-Soo Lee, Shin-Kyung, Byeong-Kwon Ju

Abstract:

Chemical detection is still a continuous challenge when it comes to designing single-walled carbon nanotube (SWCNT) sensors with high selectivity, especially in complex chemical environments. A perfect example of such an environment would be in thermally oxidized soybean oil. At elevated temperatures, oil oxidizes through a series of chemical reactions which results in the formation of monoacylglycerols, diacylglycerols, oxidized triacylglycerols, dimers, trimers, polymers, free fatty acids, ketones, aldehydes, alcohols, esters, and other minor products. In order to detect the rancidity of oxidized soybean oil, carbon nanotube chemiresistor sensors have been coated with polyethylenimine (PEI) to enhance the sensitivity and selectivity. PEI functionalized SWCNTs are known to have a high selectivity towards strong electron withdrawing molecules. The sensors were very responsive to different oil oxidation levels and furthermore, displayed a rapid recovery in ambient air without the need of heating or UV exposure.

Keywords: Carbon nanotubes, polyethylenimine, sensor, oxidized oil

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847 Low Temperature Ethanol Gas Sensor based on SnO2/MWNTs Nanocomposite

Authors: O. Alizadeh Sahraei, A. Khodadadi, Y. Mortazavi, M. Vesali Naseh, S. Mosadegh

Abstract:

A composite made of plasma functionalized multiwall carbon nanotubes (MWNTs) coated with SnO2 was synthesized by sonochemical precipitation method. Thick layer of this nanocomposite material was used as ethanol sensor at low temperatures. The composite sensitivity for ethanol has increased by a factor of 2 at room temperature and by a factor of 13 at 250°C in comparison to that of pure SnO2. SEM image of nanocomposite material showed MWNTs were embedded in SnO2 matrix and also a higher surface area was observed in the presence of functionalized MWNTs. Greatly improved sensitivity of the composite material to ethanol can be attributed to new gas accessing passes through MWNTs and higher specific surface area.

Keywords: Carbon nanotube, Functionalized, Gas sensor, Low temperature, Nanocomposite, Tin oxide.

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846 Investigation of Chlorophylls a and b Interaction with Inner and Outer Surfaces of Single-Walled Carbon Nanotube Using Molecular Dynamics Simulation

Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.

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845 Electrochemical Performance of Carbon Nanotube Based Supercapacitor

Authors: Jafar Khan Kasi, Ajab Khan Kasi, Muzamil Bokhari

Abstract:

Carbon nanotube is one of the most attractive materials for the potential applications of nanotechnology due to its excellent mechanical, thermal, electrical and optical properties. In this paper we report a supercapacitor made of nickel foil electrodes, coated with multiwall carbon nanotubes (MWCNTs) thin film using electrophoretic deposition (EPD) method. Chemical vapor deposition method was used for the growth of MWCNTs and ethanol was used as a hydrocarbon source. High graphitic multiwall carbon nanotube was found at 750oC analyzing by Raman spectroscopy. We observed the electrochemical performance of supercapacitor by cyclic voltammetry. The electrodes of supercapacitor fabricated from MWCNTs exhibit considerably small equivalent series resistance (ESR), and a high specific power density. Electrophoretic deposition is an easy method in fabricating MWCNT electrodes for high performance supercapacitor.

Keywords: Carbon nanotube, chemical vapor deposition, catalyst, charge, cyclic voltammetry.

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844 Molecular Dynamics of Fatty Acid Interacting with Carbon Nanotube as Selective Device

Authors: David L. Azevedo, Jordan Del Nero

Abstract:

In this paper we study a system composed by carbon nanotube (CNT) and bundle of carbon nanotube (BuCNT) interacting with a specific fatty acid as molecular probe. Full system is represented by open nanotube (or nanotubes) and the linoleic acid (LA) relaxing due the interaction with CNT and BuCNT. The LA has in his form an asymmetric shape with COOH termination provoking a close BuCNT interaction mainly by van der Waals force field. The simulations were performed by classical molecular dynamics with standard parameterizations. Our results show that these BuCNT and CNT are dynamically stable and it shows a preferential interaction position with LA resulting in three features: (i) when the LA is interacting with CNT and BuCNT (including both termination, CH2 or COOH), the LA is repelled; (ii) when the LA terminated with CH2 is closer to open extremity of BuCNT, the LA is also repelled by the interaction between them; and (iii) when the LA terminated with COOH is closer to open extremity of BuCNT, the LA is encapsulated by the BuCNT. These simulations are part of a more extensive work on searching efficient selective molecular devices and could be useful to reach this goal.

Keywords: Carbon Nanotube, Linoleic Acid, MolecularDynamics.

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843 Field Emission Properties of Multi-wall Carbon Nanotube Field Emitters using Graphite Tip by Electroporetic Deposition

Authors: Gui Sob Byun, Yang Doo Lee, Kyong Soo Lee, Keun Soo Lee, Sun-Woo Park, Byeong Kwon Ju

Abstract:

We fabricated multi-walled carbon nanotube (MCNT) emitters by an electroporetic deposition (EPD) method using a MCNT-sodium dodecyl sulfate (SDS) suspension. MCNT films were prepared on graphite tip using EPD. We observe field emission properties of MCNT film after heat treatment. Consequently, The MCNT film on graphite tip exhibit good electron emission current.

Keywords: Field emission, Multi-wall carbon-nanotube (MCNT), Electrophoretic deposition (EPD)

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842 Buckling Analysis of a Five-walled CNT with Nonlocal Theory

Authors: Alireza Bozorgian, Navid Majdi Nasab, Abdolreza Memari

Abstract:

A continuum model is presented to study vdW interaction on buckling analysis of multi-walled walled carbon nanotube. In previous studies, only the vdW interaction between adjacent two layers was considered and the vdW interaction between the other two layers was neglected. The results show that the vdW interaction cofficients are dependent on the change of interlayer spacing and the radii of tubes. With increase of radii the vdW coefficients approach a constant value. The numerical results show that the effect of vdW interaction on the critical strain for a doublewalled CNT is negligible when the radius is large enough for the both the cases of before and after buckling.

Keywords: Buckling, Carbon nanotube, van der Waals interaction, Multi-walled Carbon nanotube, Critical Strain, Prebuckling Pressure

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841 Thermal Property of Multi-Walled-Carbon-Nanotube Reinforced Epoxy Composites

Authors: Min Ye Koo, Gyo Woo Lee

Abstract:

In this study, epoxy composite specimens reinforced with multi-walled carbon nanotube filler were fabricated using shear mixer and ultra-sonication processor. The mechanical and thermal properties of the fabricated specimens were measured and evaluated. From the electron microscope images and the results from the measurements of tensile strengths, the specimens having 0.6 wt% nanotube content show better dispersion and higher strength than those of the other specimens. The Young’s moduli of the specimens increased as the contents of the nanotube filler in the matrix were increased. The specimen having a 0.6 wt% nanotube filler content showed higher thermal conductivity than that of the other specimens. While, in the measurement of thermal expansion, specimens having 0.4 and 0.6 wt% filler contents showed a lower value of thermal expansion than that of the other specimens. On the basis of the measured and evaluated properties of the composites, we believe that the simple and time-saving fabrication process used in this study was sufficient to obtain improved properties of the specimens.

Keywords: Carbon Nanotube Filler, Epoxy Composite, Ultra-Sonication, Shear Mixer, Mechanical Property, Thermal Property.

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840 Effect of Carbon Nanotube Reinforcement in Polymer Composite Plates under Static Loading

Authors: S. Madhu, V. V. Subba Rao

Abstract:

In the implementation of Carbon Nanotube Reinforced Polymer matrix Composites in structural applications, deflection and stress analysis are important considerations. In the present study, a multi scale analysis of deflection and stress analysis of carbon nanotube (CNT) reinforced polymer composite plates is presented. A micromechanics model based on the Mori-Tanaka method is developed by introducing straight CNTs aligned in one direction. The effect of volume fraction and diameter of CNTs on plate deflection and the stresses are investigated using classical laminate plate theory (CLPT). The study is primarily conducted with the intention of observing the suitability of CNT reinforced polymer composite plates under static loading for structural applications.

Keywords: Carbon Nanotube, Micromechanics, Composite plate, Multi-scale analysis, Classical Laminate Plate Theory.

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839 Analysis of Current Mirror in 32nm MOSFET and CNTFET Technologies

Authors: Mohini Polimetla, Rajat Mahapatra

Abstract:

There is need to explore emerging technologies based on carbon nanotube electronics as the MOS technology is approaching its limits. As MOS devices scale to the nano ranges, increased short channel effects and process variations considerably effect device and circuit designs. As a promising new transistor, the Carbon Nanotube Field Effect Transistor(CNTFET) avoids most of the fundamental limitations of the Traditional MOSFET devices. In this paper we present the analysis and comparision of a Carbon Nanotube FET(CNTFET) based 10(A current mirror with MOSFET for 32nm technology node. The comparision shows the superiority of the former in terms of 97% increase in output resistance,24% decrease in power dissipation and 40% decrease in minimum voltage required for constant saturation current. Furthermore the effect on performance of current mirror due to change in chirality vector of CNT has also been investigated. The circuit simulations are carried out using HSPICE model.

Keywords: Carbon Nanotube Field Effect Transistor, Chirality Vector, Current Mirror

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838 Molecular Dynamics Analysis onI mpact Behaviour of Carbon Nanotubes and Graphene Sheets

Authors: Sajjad Seifoori

Abstract:

Impact behavior of striker on graphene sheet and carbon nanotube is investigated based on molecular dynamics (MD) simulations. A MD simulation is conducted to obtain the maximum dynamic deflections of a square and rectangular single-layered graphene sheets (SLGSs) with various values of side-length and striker parameter. Effect of (i) chirality, (ii) graphene side-length and nanotube length, (iii) striker mass on the maximum dynamic deflections of graphene and nanotube are investigated. The effect of different types of boundary condition on the maximum dynamic deflections is studied for zigzag and armchair SWCNTs with various aspect ratios (Length/Diameter).

Keywords: Impact, molecular dynamic, graphene, nanotube.

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837 Nanocomputing Memory Devices Formed from Carbon Nanotubes and Metallofulleres

Authors: Richard K. F. Lee, James M. Hill

Abstract:

In this paper, we summarize recent work of the authors on nanocomputing memory devices. We investigate two memory devices, each comprising a charged metallofullerene and carbon nanotubes. The first device involves two open nanotubes of the same radius that are joined by a centrally located nanotube of a smaller radius. A metallofullerene is then enclosed inside the structure. The second device also involves a etallofullerene that is located inside a closed carbon nanotube. Assuming the Lennard-Jones interaction energy and the continuum approximation, for both devices, the metallofullerene has two symmetrically placed equal minimum energy positions. On one side the metallofullerene represents the zero information state and by applying an external electrical field, it can overcome the energy barrier, and pass from one end of the tube to the other, where the metallofullerene then represents the one information state.

Keywords: Carbon nanotube, continuous approach, energy barrier, Lennard-Jones potential, metallofullerene, nanomemory device.

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836 Amine Solution Recovery Package and Controlling Corrosion in Regeneration Tower

Authors: A.Atash J ameh

Abstract:

Sarkhoon gas plant, located in south of Iran, has been installed to removal H2S contained in a high pressure natural gas stream. The solvent used for the H2S removal from gaseous stream is 34% by weight (wt%) Di-ethanol amine (DEA) solutions. Due to increasing concentration of heat stable salt (HSS) in solvent, corrosivity of amine solution had been increased. Reports indicated that there was corrosion on the shell of regeneration column. Because source formation of HSS was unknown, we decided to control the amount of HSS at the limit less than 3% wt amine solvent. Therefore, two small columns were filled by strong anionic base and carbon active, and then polluted amine was passed through beds. Finally a temporary amine recovery package on industrial scale was made based on laboratory’s results. From economical point of view we could save $700000 beside corrosion occurrence of the stripping column has been vigorously decreased.

Keywords: Amines, corrosion, heat stable salt, resin anionic.

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835 Synthesis, Characterization and Performance Study of Newly Developed Amine Polymeric Membrane (APM) for Carbon Dioxide (CO2) Removal

Authors: Rizwan Nasir, Hilmi Mukhtar, Zakaria Man, Dzeti Farhah Mohshim

Abstract:

Carbon dioxide has been well associated with greenhouse effect, and due to its corrosive nature it is an undesirable compound. A variety of physical-chemical processes are available for the removal of carbon dioxide. Previous attempts in this field have established alkanolamine group has the capability to remove carbon dioxide. So, this study combined the polymeric membrane and alkanolamine solutions to fabricate the amine polymeric membrane (APM) to remove carbon dioxide (CO2). This study entails the effect of three types of amines, monoethanolamine (MEA), diethanolamine (DEA), and methyldiethanolamine (MDEA). The effect of each alkanolamine group on the morphology and performance of polyether sulfone (PES) polymeric membranes was studied. Flat sheet membranes were fabricated by solvent evaporation method by adding polymer and different alkanolamine solutions in the N-Methyl-2-pyrrolidone (NMP) solvent. The final membranes were characterized by using Field Emission Electron Microscope (FESEM), Fourier Transform Infrared (FTIR), and Thermo-Gravimetric Analysis (TGA). The membrane separation performance was studied. The PES-DEA and PES-MDEA membrane has good ability to remove carbon dioxide. 

Keywords: Amine Polymeric membrane, Alkanolamine solution, CO2 Removal, Characterization.

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834 Critical Buckling Load of Carbon Nanotube with Non-Local Timoshenko Beam Using the Differential Transform Method

Authors: Tayeb Bensattalah, Mohamed Zidour, Mohamed Ait Amar Meziane, Tahar Hassaine Daouadji, Abdelouahed Tounsi

Abstract:

In this paper, the Differential Transform Method (DTM) is employed to predict and to analysis the non-local critical buckling loads of carbon nanotubes with various end conditions and the non-local Timoshenko beam described by single differential equation. The equation differential of buckling of the nanobeams is derived via a non-local theory and the solution for non-local critical buckling loads is finding by the DTM. The DTM is introduced briefly. It can easily be applied to linear or nonlinear problems and it reduces the size of computational work. Influence of boundary conditions, the chirality of carbon nanotube and aspect ratio on non-local critical buckling loads are studied and discussed. Effects of nonlocal parameter, ratios L/d, the chirality of single-walled carbon nanotube, as well as the boundary conditions on buckling of CNT are investigated.

Keywords: Boundary conditions, buckling, non-local, the differential transform method.

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833 Free Vibration Analysis of Carbon Nanotube Reinforced Laminated Composite Panels

Authors: B. Ramgopal Reddy, K. Ramji, B. Satyanarayana

Abstract:

In this paper, free vibration analysis of carbon nanotube (CNT) reinforced laminated composite panels is presented. Three types of panels such as flat, concave and convex are considered for study. Numerical simulation is carried out using commercially available finite element analysis software ANSYS. Numerical homogenization is employed to calculate the effective elastic properties of randomly distributed carbon nanotube reinforced composites. To verify the accuracy of the finite element method, comparisons are made with existing results available in the literature for conventional laminated composite panels and good agreements are obtained. The results of the CNT reinforced composite materials are compared with conventional composite materials under different boundary conditions.

Keywords: CNT Reinforced Composite Panels, Effective ElasticProperties, Finite Element Method, Natural Frequency.

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832 Investigation of Gas Phase Composition During Carbon Nanotube Production

Authors: S. Yaglikci, B. Salgara, F. Soysal, B. Cicek

Abstract:

Chemical vapor deposition method was used to produce carbon nanotubes on an iron based catalyst from acetylene. Gas-phase samples collected from the different positions of the tubular reactor were analyzed by GC/MS. A variety of species ranging from hydrogen to naphthalene were observed and changes in their concentrations were plotted against the reactor position. Briefly benzene, toluene, styrene, indene and naphthalene were the main higher molecular weight species and vinylacetylene and diacetylene were the important intermediates. Nanotube characterization was performed by scanning electron microscopy and transmission electron microscopy.

Keywords: Carbon nanotubes, chemical vapor deposition, GC/MS, species profile

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831 Characterization and Detection of Cadmium Ion Using Modification Calixarene with Multiwalled Carbon Nanotubes

Authors: Amira Shakila Razali, Faridah Lisa Supian, Muhammad Mat Salleh, Suraini Abu Bakar

Abstract:

Water contamination by toxic compound is one of the serious environmental problems today. These toxic compounds mostly originated from industrial effluents, agriculture, natural sources and human waste. These studies focus on modification of multiwalled carbon nanotube (MWCNTs) with nanoparticle of calixarene and explore the possibility of using this modification for the remediation of cadmium in water. The nanocomposites were prepared by dissolving calixarene in chloroform solution as solvent, followed by additional multiwalled carbon nanotube (MWCNTs) then sonication process for 3 hour and fabricated the nanocomposites on substrate by spin coating method. Finally, the nanocomposites were tested on cadmium ion (10 mg/ml). The morphology of nanocomposites was investigated by FESEM showing the formation of calixarene on the outer walls of carbon nanotube and cadmium ion also clearly seen from the micrograph. This formation was supported by using energy dispersive x-ray (EDX). The presence of cadmium ions in the films, leads to some changes in the surface potential and Fourier Transform Infrared spectroscopy (FTIR).The nanocomposites MWCNTs-calixarene have potential for development of sensor for pollutant monitoring and nanoelectronics devices applications.

Keywords: Calixarene, Multiwalled Carbon Nanotubes, Cadmium, Surface Potential.

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830 Fungal Disinfection by Nanofiltration in Tomato Soilless Culture

Authors: R. Amooaghaie

Abstract:

Principally, plants grown in soilless culture may be attacked by the same pests and diseases as cultivated traditionally in soil. The most destructive phytopathogens are fungi, such as Phythium, Phytophthora and Fusarium, followed by viruses, bacteria and nematodes. We investigated effect of carbon nanotube filters on disease management of soilless culture. Tomato seedlings transplant in plastic pots filled with a soilless media of vermiculite. The crop irrigated and fertilized using a hydroponic nutrient solution. We used carbon nanotube filters for nutrient solution disinfection. Our results show that carbon nanotube filtration significantly reduces pathogens on tomato plants. Fungal elimination (Fusarium oxysporum and Pythium spp.) was usually successful at about 96 to 99.9% all over the cultural season. It is seem that in tomato soilless culture, nanofiltration constitutes a reliable method that allows control of the development of diseases caused by pathogenic fungi

Keywords: Fusarium oxysporum, Nanofilteration, Pythium spp., Soilless culture, Tomato

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829 Functionalization and Characterization of Carbon Nanotubes/ Polypropylene Nanocomposite

Authors: Mokhtar Awang, Wei-Vern Hor, Ehsan Mohammadpour, M Zaki Abdullah, Faiz Ahmad

Abstract:

Chemical and physical functionalization of multiwalled carbon nanotubes (MWCNT) has been commonly practiced to achieve better dispersion of carbon nanotubes (CNTs) in polymer matrix. This work describes various functionalization methods (acidtreatment, non-ionic surfactant treatment with TritonX-100), fabrication of MWCNT/PP nanocomposites via melt blending and characterization of mechanical properties. Microscopy analysis (FESEM, TEM, XPS) showed effective purification of MWCNTs under acid treatment, and better dispersion under both chemical and physical functionalization techniques combined, in their respective order. Tensile tests showed increase in tensile strength for the nanocomposites that contain MWCNTs up to 2 wt%. A decrease in tensile strength was seen in samples that contain 4 wt% of MWCNTs for both raw and Triton X-100 functionalized, signifying MWCNT degradation/rebundling at composition with higher content of MWCNTs. For the acid-treated MWCNTs, however, the tensile results showed slight improvement even at 4wt%, indicating effective dispersion of MWCNTs.

Keywords: Multi walled carbon nanotube (MWCNT), functionalization, dispersion, nanocomposite

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828 Experimental Investigation of Proton Exchange Membrane Fuel Cells Operated with Nanofiber and Nanofiber/Nanoparticle

Authors: Kevser Dincer, Basma Waisi, M. Ozan Ozdemir, Ugur Pasaogullari, Jeffrey McCutcheon

Abstract:

Nanofibers are defined as fibers with diameters less than 100 nanometers. In this study, behaviours of activated carbon nanofiber (ACNF), carbon nanofiber (CNF), polyacrylonitrile/ carbon nanotube (PAN/CNT), polyvinyl alcohol/nanosilver (PVA/Ag) in proton exchange membrane (PEM) fuel cells are investigated experimentally. This material was used as gas diffusion layer (GDL) in PEM fuel cells. In this study, the electrical conductivities of nanofiber and nanofiber/nanoparticles have been studied to understand their effects on PEM fuel cell performance. According to the experimental results, the maximum electrical conductivity performance of the fuel cell with nanofiber was found to be at PVA/Ag (at UConn condition). The electrical conductivities of CNF, ACNF, PAN/CNT are lower for PEM. The resistance of cell with PVA/Ag is lower than the resistance of cell with PAN/CNT, ACNF, CNF.

Keywords: Proton exchange membrane fuel cells, electrospinning, carbon nanofiber, activate carbon nanofiber, PVA fiber, pan fiber, carbon nanotube, nanoparticle, nanocomposites.

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827 Computational Studies of Binding Energies and Structures of Methylamine on Functionalized Activated Carbon Surfaces

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.

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826 Bode Stability Analysis for Single Wall Carbon Nanotube Interconnects Used in 3D-VLSI Circuits

Authors: Saeed H. Nasiri, Rahim Faez, Bita Davoodi, Maryam Farrokhi

Abstract:

Bode stability analysis based on transmission line modeling (TLM) for single wall carbon nanotube (SWCNT) interconnects used in 3D-VLSI circuits is investigated for the first time. In this analysis, the dependence of the degree of relative stability for SWCNT interconnects on the geometry of each tube has been acquired. It is shown that, increasing the length and diameter of each tube, SWCNT interconnects become more stable.

Keywords: Bode stability criterion, Interconnects, Interlayer via, Single wall carbon nanotubes, Transmission line method, Time domain analysis

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825 Solubility of CO2 in Aqueous Solutions of 2- Amino-2-Methyl-1-Propanol at High Pressure

Authors: Azmi Mohd Shariff, Ghulam Murshid, K.K. Lau, Mohammad Azmi Bustam, Faizan Ahamd

Abstract:

Carbon dioxide is one of the major green house gases. It is removed from different streams using amine absorption process. Sterically hindered amines are suggested as good CO2 absorbers. Solubility of carbon dioxide (CO2) was measured in aqueous solutions of 2-Amino-2-methyl-1-propanol (AMP) at temperatures 30 oC, 40 oC and 60 oC. The effect of pressure and temperature was studied over various concentrations of AMP. It has been found that pressure has positive effect on CO2 solubility where as solubility decreased with increasing temperature. Absorption performance of AMP increased with increasing pressure. Solubility of aqueous AMP was compared with mo-ethanolamine (MEA) and the absorption capacity of aqueous solutions of AMP was found to be better.

Keywords: Global warming, Carbon dioxide, Amine, Solubility

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824 Molecular Dynamics Simulation for Buckling Analysis at Nanocomposite Beams

Authors: Babak Safaei, A. M. Fattahi

Abstract:

In the present study we have investigated axial buckling characteristics of nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs). Various types of beam theories including Euler-Bernoulli beam theory, Timoshenko beam theory and Reddy beam theory were used to analyze the buckling behavior of carbon nanotube-reinforced composite beams. Generalized differential quadrature (GDQ) method was utilized to discretize the governing differential equations along with four commonly used boundary conditions. The material properties of the nanocomposite beams were obtained using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long- (10,10) SWCNT composites which were embedded by amorphous polyethylene matrix. Then the results obtained directly from MD simulations were matched with those calculated by the mixture rule to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results were presented to indicate the influences of nanotube volume fractions and end supports on the critical axial buckling loads of nanocomposite beams relevant to long- and short-nanotube composites.

Keywords: Nanocomposites, molecular dynamics simulation, axial buckling, generalized differential quadrature (GDQ).

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823 Carbon Nanotubes with Magnetic Particles

Authors: Svitlana Kopyl, Vladimir Bystrov, Mikhail Maiorov, Manuel Valente, Igor Bdikin, Antonio C.M. Sousa

Abstract:

Magnetic carbon nanotubes composites were obtained by filling carbon nanotubes with paramagnetic iron oxide particles. Detailed investigation of magnetic behaviour of resulting composites was done at different temperatures. Measurements indicate that these functionalized nanotubes are superparamagnetic at room temperature; however, no superparamagnetism was observed at 125 K and 80 K. The blocking temperature TB was estimated at 145 K. These magnetic carbon nanotubes have the potential of being used in a wide range of applications, in particular, the production of nanofluids, which can be controlled and steered by appropriate magnetic fields.

Keywords: carbon nanotubes, magnetic nanoparticles, magnetization, nanofluids

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822 C4H6 Adsorption on the Surface of a BN Nanotube: DFT Studies

Authors: Maziar Noei

Abstract:

Adsorption of a boron nitride nanotube (BNNT) was examined toward ethylacetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethylacetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si and Al atoms, the adsorption energy of ethylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about - 24.19kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for ethylacetylene and can be used in separation processes ethylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of ethylacetylene an electrical signal is generating directly and therefore can potentially be used for ethylacetylene sensors.

Keywords: Sensor, Nanotube, DFT, Ethylacetylene.

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