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Foundations of Nanotechnology AAP Research Notes on Foundations of Nanotechnology AAP Research Notes on Volume 2: Nanoelements Formation and Interaction Foundations of Nanotechnology AAP Research Notes on Volume 2: Nanoelements Formation and Interaction Nanoscience & Nanotechnology VolumeT h2e: cNolalencotioenle omf etonptsi cFs oinrm thaist iobono ak nrdef lIencttes rtahcet idoivne rsity of recent advances in nanoelements AMRT Nanoscience & Nanotechnology TfsOsochhrinaeemep nc aetooit sOsmTfsfliooch ltohsOsmdfestoofrinchahne eecmodrainteaep vtnehmcaid ees apeeonteoom i nlealt ewisnt ofolionildn ltaot is festipeonfgoa thoni csitlnmfgat fnnhlen t hm aiat s otaet etohemeom aanse esnwn ermp snd ntelaatw hfek eidntoa oaciochomsilena fnnsrlti fod i iln iennlotaottngied eos annotaenst c rrespasr m tlaessao strfeekisr hola,dcncafmiesqek inosrtc uofmsskqiu ioe rot angmiiniui birnnneornng trmaieeion mgtarns crstn emot h ias,dalssainno a iknt,dulflasikuag asor n ufacirkygdnn borrn eatatisgnmaeeoherongftltma enlcenec ego eicsu nnomtn o k ocitscbslnnuagmos t aomtssaaryuadgn s mt eptswsynidptne ohofhittosdpnleuseohecienetst n oumtte echfci saebotomttmd m tesasntbsaaarmii s sgeoptv aasw nit t btehopinioihswndhsnsirreinoaset d o ssehoifi bea stl iot dde h cafteineulaayotrros i dsengiv asa i rl mtdsob u.edgi ihi p nstdsbfrrriipihe enng sesosbrr eaoi re geoeecatbu assnyreocn cadpiuisnt dretolmthdo .edie.sd np lm e f .cdcipT pto en otc riphodiarenfgeovm eossergdct empih sstppet vohpeieettpeuntahheb eceinuttorn aejt a cd iedtoafc tvtsat d cieeiefidtevwot zhtpenisit evonehveti peca hliensaieltenne rnha. ailb n do rcatosnTlte dee fiithwsfamz t nesiituwetnemzhi nchels ioseilienmcee,e sl.se lb e f, w.oanTisul b e emwtohfTatlhr eh m uhefutpnfhi ehocus ecetooimmhehecrts neru m ehf etaatsulmras fe taetstulm rnhmi at utclfrhtea aokauc efmevnoerktclnu omsedrtatur sls utaet r hitm ectheiaa c eeanal ndil sd AfzaliMaghsoodRafieiAfzalifzaliThomasMaghsoodlouaghsoodlouRafieiafieiThomashomas NanFosocieuncne &d Naantotieochnnolsog yof modeldintehgve em ldoeeptvhmeoledonspt mroeefq neutci rooenf olsaumrcgihce a acl otcemaclhpcunulitaqatutiioeon ni nam l veaatihrdioosd uassn undra gcneoonmsty.p sTuthetamet isoo.bnjaelc ttiimvee o, fw thhiics hi mmpaokretas ntht ev olume is lo Foundations of develotphme ednetv eolfo epcmoennotm oifc asul ccha lacu tleactihonniq mueet hino dvas ruiorgues nnt.a nThoesy osbtejmecst.ive of this important volume is u F Foundations of the deveAloBpOmUenTt ToHf sEu cAhU aT tHecOhnRiqSue in various nanosystems. Fo ASBaObUu TT hToHmE aAsU, PTHhDO,R isS a Professor of Polymer Science and Engineering at the School of Chemical ABOUSSTac biTeuHn cETeh sA oaUmndTa HDsOi,r ePRchtSoDr ,o ifs thae P Irnotfeersnsaotri oonfa Pl oalynmd eInr tSecr iUenncivee arsnidty ECnegnitnreee froinr gN aatn tohsec iSecnhcoeo al nodf Chemical Fou Nanotechnology SNcieanncoetse cahnndo lDoigrye catot rM oaf hthaetm Inat eGrnaantdiohni aUl naivnedr sInittye, rK Uonttiavyearsmity, KCeernatlrae, fIonrd iNaa. nThoesc 2ie0n0c8e arencdip ient of the oun Nanotechnology Sabu Thomas, PhD, is a Professor of Polymer Science and Engineering at the School of Chemical V acISSNcnrocladsaeivoedeinea nioetrt ec eatdadeeacISIcNcnnscronse acISIaclea ddnnsSae horovdil haaodddevsiiuenBnenv aaon e dekoiiioeSoteretaaR 'ed du eivsatetcl dratde 'oeo a mec e sasdDftcandie gerf hi cnfSsah rfo dnei iyeheiti 1s rvSunhrreondT i tehe s 7kvoau eMoeeniM Rcttde u kovxt,e l et Ro5timRdoa omeutcvaMes tig0oSrfah hrm elcfioa eta tayr0fIenhhit1hofs ah re h 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Formationof Nanf Nano SSaabeSSeSSSuaadaah beTbeeiehmuehudo dT aReTmeh hhMahoaf oR aimsRem,ag aiaPfhafisheiss,eD ,oiP iPohhdDDlou confereBnBFocoooeuoksn.sk sdi nain tti hothene sA AoAfAP NP R aReneseoseatearccrhhchn N oNolootegtesy :so Vonon Nl uNamaneno os2cs:ic eNienancnece o& e& lNe Nmaanenonottestec Fhcohnrnomoloalogtigyo ybn bo aoonokd ks Iesnertireeiresa:sc:tion ation noon a andotte ShiSmAhraiem Mzaoa MgAhfazsgaohloisdoloodulou Books FioSnau tbnhude a TAthiAooPnm sRa eoss,f ePNaharDcn,ho S tNaeeocehtednseo holo nRg aNyf:ia eVni,o oSlushcmiimeena 2c Me: Na&g aNhnsaooneooldetlemocueh,n natosn ldoF ogAryrm ebzaootoi oAkn fsz eaarlniieds I:nteraction a tnd Inec Arezo Afzali FoundSaaFtiobouun nsTd hoaoft miNoanassn, ooPtfhe DNc,ha Snnaooeltoeegdcyhe:hn V oRolaolufgiemyi:,e VS 2oh:ilmu Nmaa eMn o3ae:g lMhesmeoceohndatlson uiFc,os a romnfd aC tAiaorrenbz ooan nA dNfz Iaannltieortuabcteiosn nd e Intech Arezo Afzali SFaobuun dTFSahaoSNtoaieuoameennndeadsodesa sheo,tt h ifrPoR u hNRancDafsatiu, fen oirSieoefai t,Nee Necadhanennohoot elRsocyaghsfytniee:o imV,l ooSsg hluayimnm: dVae o NM3lua:a mnMgoehes sc3torh:uo aMdcntluoeicrucseh, doaa fnnM Cidca asAt reorbrefoi zaCnols a NA:r bfTazohnaneloio tNuryba,e nPsorotudbuecstion, and Inte chteraractihnno SaeedeNhDa eRnvaoefsiletoriupcmtuernet, Nanosystems and Nanostructured Materials: Theory, Production, and ra nctionol NDeavneolsoDEtpdNEreumdivatcoietnetorulnosorr:stsp e:tPm ,.rP u.MN ecMnat. u.tnS riSoevisasvy,ak sNukteumammnaasor, r ma,P nhPadhDteD ,N r,Vi aaVlalnlsado,d ismaitmnriurdi rcI .tNI u.K arKoenoddodo tMoleolcoavh,vt en,D roDSialcSol,csg ,G: i eGTeshne tennoona raNdydy,a yPEn rE.o o.Zi dnZaudaikcuioktsiovot,rvn y,D ,D SacSn,c d,A A. .K K. .H Haagghhi,i ,P hPhDD ction olon loog EditorsN:E aPd.n iMtoo.sr tsSr:iu vVcaltkauudrmeimsa,i rrN, IP.a hKnDoo,dm Voallaotedv,ri miDailSrsc ,I, . a GKnoeddn Nonlaaodnv,yo DEte.S ccZh,a nGikoeolonv,gn DiaedSsyc t ,oE a. NnZdaa niAkoo. ivKn,. d DHuSsactgr, yhAi., KPh. DHaghi, PhD ogy NanosEtdruitcotrusr: eVsl,a Ndiamnior mI. aKtoedroialolsv,, aDnSdc ,N Gaennontaedchy nEo. lZoagiikeosv t,o D NSca,n aonind dAu.s Ktr.y Haghi, PhD gy ISBN: 978-1-77188-028-2 Editors: Vladimir I. Kodolov, DSc, Gennady E. Zaikov, DSc, and A. K. Haghi, PhD 90000 y ISBN: 978-1-77188-028-2 90000 ISBN: 978-1-77188-028-2 90000 9 781771 880282 9 781771 880282 www.appleacademicpress.com 9 781771 880282 FOUNDATIONS OF NANOTECHNOLOGY VOLUME 2 NANOELEMENTS FORMATION AND INTERACTION FOUNDATIONS OF NANOTECHNOLOGY VOLUME 2 NANOELEMENTS FORMATION AND INTERACTION Sabu Thomas, PhD, Saeedeh Rafiei, Shima Maghsoodlou, and Arezo Afzali Apple Academic Press TORONTO NEW JERSEY CRC Press Apple Academic Press, Inc Taylor & Francis Group 3333 Mistwell Crescent 6000 Broken Sound Parkway NW, Suite 300 Oakville, ON L6L 0A2 Boca Raton, FL 33487-2742 Canada © 2015 by Apple Academic Press, Inc. Exclusive worldwide distribution by CRC Press an imprint of Taylor & Francis Group, an Informa business No claim to original U.S. Government works Version Date: 20141008 International Standard Book Number-13: 978-1-4822-5239-2 (eBook - PDF) This book contains information obtained from authentic and highly regarded sources. Reason- able efforts have been made to publish reliable data and information, but the author and publisher cannot assume responsibility for the validity of all materials or the consequences of their use. The authors and publishers have attempted to trace the copyright holders of all material reproduced in this publication and apologize to copyright holders if permission to publish in this form has not been obtained. If any copyright material has not been acknowledged please write and let us know so we may rectify in any future reprint. Except as permitted under U.S. Copyright Law, no part of this book may be reprinted, reproduced, transmitted, or utilized in any form by any electronic, mechanical, or other means, now known or hereafter invented, including photocopying, microfilming, and recording, or in any information storage or retrieval system, without written permission from the publishers. For permission to photocopy or use material electronically from this work, please access www. copyright.com (http://www.copyright.com/) or contact the Copyright Clearance Center, Inc. (CCC), 222 Rosewood Drive, Danvers, MA 01923, 978-750-8400. CCC is a not-for-profit organiza- tion that provides licenses and registration for a variety of users. For organizations that have been granted a photocopy license by the CCC, a separate system of payment has been arranged. Trademark Notice: Product or corporate names may be trademarks or registered trademarks, and are used only for identification and explanation without intent to infringe. Visit the Taylor & Francis Web site at http://www.taylorandfrancis.com and the CRC Press Web site at http://www.crcpress.com For information about Apple Academic Press product http://www.appleacademicpress.com ABOUT AAP RESEARCH NOTES ON NANOSCIENCE & NANOTECHNOLOGY AAP Research Notes on Nanoscience & Nanotechnology reports on research de- velopment in the field of nanoscience and nanotechnology for academic institutes and industrial sectors interested in advanced research. Editor-in-Chief: A. K. Haghi, PhD Associate Member of University of Ottawa, Canada; Member of Canadian Research and Development Center of Sciences and Cultures email: [email protected] Editorial Board: Georges Geuskens, PhD Professor Emeritus, Department of Chemistry and Polymers, Universite de Libre de Brussel, Belgium Vladimir I. Kodolov, DSc Professor and Head, Department of Chemistry and Chemical Technology, M. I. Kalashnikov Izhevsk State Technical University, Izhevsk, Russia Victor Manuel de Matos Lobo, PhD Professor, Coimbra University, Coimbra, Portugal Richard A. Pethrick, PhD, DSc Research Professor and Professor Emeritus, Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, Scotland, UK Eli M. Pearce, PhD Former President, American Chemical Society; Former Dean, Faculty of Science and Art, Brooklyn Polytechnic University, New York, USA Mathew Sebastian, MD Senior Consultant Surgeon, Elisabethinen Hospital, Klagenfurt, Austria; Austrian Association for Ayurveda Charles Wilkie, PhD Professor, Polymer and Organic Chemistry, Marquette University, Milwaukee, Wisconsin, USA BOOKS IN THE AAP RESEARCH NOTES ON NANOSCIENCE & NANOTECHNOLOGY BOOK SERIES Nanostructure, Nanosystems and Nanostructured Materials: Theory, Production, and Development Editors: P. M. Sivakumar, PhD, Vladimir I. Kodolov, DSc, Gennady E. Zaikov, DSc, and A. K. Haghi, PhD Nanostructures, Nanomaterials, and Nanotechnologies to Nanoindustry Editors: Vladimir I. Kodolov, DSc, Gennady E. Zaikov, DSc, and A. K. Haghi, PhD Foundations of Nanotechnology: Volume 1: Pore Size in Carbon-Based Nano-Adsorbents A. K. Haghi, PhD, Sabu Thomas, PhD, and Moein MehdiPour MirMahaleh Foundations of Nanotechnology: Volume 2: Nanoelements Formation and Interaction Sabu Thomas, PhD, Saeedeh Rafiei, Shima Maghsoodlou, and Arezo Afzali Foundations of Nanotechnology: Volume 3: Mechanics of Carbon Nanotubes Saeedeh Rafiei ABOUT THE AUTHORS Sabu Thomas, PhD Sabu Thomas, PhD, is a Professor of Polymer Science and Engineering at the School of Chemical Sciences and Director of the International and Inter University Centre for Nanoscience and Nanotechnology at Mahatma Gandhi University, Kottayam, Kerala, India. He received his BSc degree (1980) in Chemistry from the University of Kerala, BTech. (1983) in Polymer Science and Rubber Technology from the Cochin University of Science and Technol- ogy, and PhD (1987) in Polymer Engineering from the Indian Institute of Technology, Kharagpur. The research activities of Professor Thomas include surfaces and interfaces in multiphase polymer blend and composite systems, phase separation in polymer blends, compatibilization of immiscible polymer blends, thermoplastic elastomers, phase transitions in polymers, nanostruc- tured polymer blends, macro-, micro- and nanocomposites, polymer rheology, recycling, reactive extrusion, processing–morphology–property relationships in multiphase polymer systems, double networking of elastomers, natural fi- bers and green composites, rubber vulcanization, interpenetrating polymer networks, diffusion and transport and polymer scaffolds for tissue engineer- ing. He has supervised 65 PhD theses, 30 MPhil theses, and 40 Masters theses. He has three patents to his credit. He also received the coveted Sukumar Mai- thy Award for the best polymer researcher in the country for the year 2008. Very recently Professor Thomas received the MRSI and CRSI medals for his excellent work. With over 600 publications to his credit and over 17,500 cita- tions, with an h-index of 67, Dr. Thomas has been ranked fifth in India as one of the most productive scientists. Saeedeh Rafiei Saeedeh Rafiei is a professional textile engineer and a Research Fellow at Technopark, Kerala, India's first technology park and among the three largest IT parks in India today. Saeed Rafiei earned a BSc in Textile Engineering, an MSc on Textile Engineering, and has published several papers in journals and conferences. viii About the Authors Shima Maghsoodlou Shima Maghsoodlou is a professional textile engineer and a Research Fel- low at Technopark, Kerala, India's first technology park and among the three largest IT parks in India today. Shima Maghsoodlou received a BSc in Textile Engineering, an MSc in Textile Engineering, and has published several papers in journals and conferences. Arezoo Afzali Arezoo Afzali is a professional textile engineer and a Research Fellow at Technopark, Kerala, India's first technology park and among the three largest IT parks in India today. She has a BSc in Textile Engineering, an MSc in Tex- tile Engineering, and published several papers in journals and conferences. CONTENTS List of Abbreviations ...................................................................................xi List of Symbols ..........................................................................................xiii Preface ......................................................................................................xvii 1. Nanoscale Science and Technology: An Overview ......................................1 2. Nanoelement Manufacturing: Self-Assembly ............................................33 3. Nanomaterials: Properties and Application ................................................55 4. Modeling and Simulation .........................................................................101 5. Molecular Simulation for Nanomaterials .................................................131 6. Numerical Simulation of Nanoelements ..................................................167 7. Numerical Study of Axial and Coaxial Electrospinning Process .............197

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