CHEMICAL SCIENCE AND ENGINEERING TECHNOLOGY Perspectives on Interdisciplinary Research CHEMICAL SCIENCE AND ENGINEERING TECHNOLOGY Perspectives on Interdisciplinary Research Edited by Devrim Balköse, PhD Ana Cristina Faria Ribeiro, PhD A. K. Haghi, PhD Suresh C. Ameta, PhD Tanmoy Chakraborty, PhD Apple Academic Press Inc. Apple Academic Press Inc. 3333 Mistwell Crescent 1265 Goldenrod Circle NE Oakville, ON L6L 0A2 Palm Bay, Florida 32905 Canada USA © 2019 by Apple Academic Press, Inc. Exclusive worldwide distribution by CRC Press, a member of Taylor & Francis Group No claim to original U.S. Government works International Standard Book Number-13: 978-1-77188-705-2 (Hardcover) International Standard Book Number-13: 978-1-351-04832-3 (eBook) All rights reserved. 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Ribeiro, Ana Cristina Faria, editor III. Haghi, A. K., editor IV. Ameta, Suresh C., editor V. Chakraborty, Tanmoy, editor TP146.C54 2018 660 C2018-905482-4 C2018-905483-2 Library of Congress Cataloging-in-Publication Data Names: Balköse, Devrim, editor. | Ribeiro, Ana Cristina Faria, editor. | Haghi, A. K., editor. | Ameta, Suresh C., editor. | Chakraborty, Tanmoy, editor. Title: Chemical science and engineering technology : perspectives on interdisciplinary research / Devrim Balköse, PhD, Ana Cristina Faria Ribeiro, PhD, A. K. Haghi, PhD, Suresh C. Ameta, PhD, Tanmoy Chakraborty, PhD. Description: First edition. | Waretown, NJ : Apple Academic Press, 2019. | Includes bibliographical references and index. Identifiers: LCCN 2018043181 (print) | LCCN 2018044034 (ebook) | ISBN 9781351048323 (ebook) | ISBN 9781771887052 (hardcover : alk. paper) Subjects: LCSH: Chemical engineering. Classification: LCC TP146 (ebook) | LCC TP146 .C47 2019 (print) | DDC 660--dc23 LC record available at https://lccn.loc.gov/2018043181 Apple Academic Press also publishes its books in a variety of electronic formats. Some content that appears in print may not be available in electronic format. For information about Apple Academic Press products, visit our website at www.appleacademicpress.com and the CRC Press website at www.crcpress.com ABOUT THE EDITORS Devrim Balköse, PhD Devrim Balköse, PhD, is currently a retired faculty member in the Chemical Engineering Department at Izmir Institute of Technology, Izmir, Turkey. She graduated from the Middle East Technical University in Ankara, Turkey, with a degree in chemical engineering. She received her MS and PhD degrees from Ege University, Izmir, Turkey, in 1974 and 1977, respectively. She became Associate Professor in macromolecular chemistry in 1983 and Professor in process and reactor engineering in 1990. She worked as a research assistant, assistant professor, associate professor, and professor between 1970 and 2000 at Ege University. She was the Head of Chemical Engineering Department at Izmir Institute of Technology, Izmir, Turkey, between 2000 and 2009. She is now a retired faculty member in the same department. Her research interests are in polymer reaction engi- neering, polymer foams and films, adsorbent development, and moisture sorption. Her research projects are on nanosized zinc borate production, ZnO polymer composites, zinc borate lubricants, antistatic additives, and metal soaps. Ana Cristina Faria Ribeiro, PhD Ana C. F. Ribeiro, PhD, is a researcher in the Department of Chemistry at the University of Coimbra, Portugal. Her area of scientific activity is physical chemistry and electrochemistry. Her main areas of research interest are transport properties of ionic and nonionic components in aqueous solutions. She has experience as a scientific adviser and teacher of different practical courses. Dr. Ribeiro has supervised master degree theses as well as some PhD theses and has been a theses jury member. She has been referee for various journals as well as an expert evaluator of several research programs funded by the Romanian government through the National Council for Scientific Research. She has been a member of the organizing committee of scientific conferences, and she is an editorial member of several journals. She has received several grants, consulted for a number of major corporations and is a frequent speaker for national and international audiences. She is a member of the Research Chemistry Centre, Coimbra, Portugal. vi About the Editors A. K. Haghi, PhD A. K. Haghi, PhD, is the author and editor of 165 books, as well as 1,000 published papers in various journals and conference proceedings. Dr. Haghi has received several grants, consulted for a number of major corporations, and is a frequent speaker to national and international audiences. Since 1983, he served as professor at several universities. He is currently Editor-in-Chief of the International Journal of Chemoinformatics and Chemical Engineering and Polymers Research Journal and has served on the editorial boards of many international journals. He is also a member of the Canadian Research and Development Center of Sciences and Cultures (CRDCSC), Montreal, Quebec, Canada. He holds a BSc in urban and environmental engineering from the University of North Carolina (USA), an MSc in mechanical engi- neering from North Carolina A&T State University (USA), a DEA in applied mechanics, acoustics and materials from the Université de Technologie de Compiègne (France), and a PhD in engineering sciences from Université de Franche-Comté (France). Suresh C. Ameta, PhD Suresh C. Ameta, PhD, is currently Dean of the Faculty of Science at PAHER University, Udaipur, India. He has served as Professor and Head of the Department of Chemistry, and as Head of the Department of Polymer Science, at North Gujarat University, Patan and M. L. Sukhadia University, Udaipur. He also served as Dean of Postgraduate Studies. Prof. Ameta has held the position of President of the Indian Chemical Society, Kolkata and is now a life-long Vice President. He received a number of prestigious awards during his career such as national prizes twice for writing chemistry books in Hindi. He also received the Prof. M. N. Desai Award (2004), the Prof. W. U. Malik Award (2008), the National Teacher Award (2011), the Prof. G. V. Bakore Award (2007) and a Life-time Achievement Award from the Indian Chemical Society (2011) and the Indian Council of Chemist (2015). He has successfully guided 81 PhD students. Having more than 350 research publi- cations to his credit in journals of national and international repute, he is also the author of many undergraduate- and postgraduate-level books. He has published three books with Apple Academic Press: Chemical Applications of Symmetry and Group Theory, Microwave-Assisted Organic Synthesis, and Green Chemistry: Fundamentals and Applications and two with Taylor and Francis: Solar Energy Conversion and Storage and Photocatalysis. He has also written chapters in books published by several other international publishers. Prof. Ameta has delivered lectures and chaired sessions at About the Editors vii national conferences and is a reviewer of number of international journals. In addition, he has completed five major research projects from different funding agencies, such as DST, UGC, CSIR, and Ministry of Energy, Govt. of India. Tanmoy Chakraborty, PhD Tanmoy Chakraborty, PhD, is Associate Professor in the Department of Chemistry at Manipal University, Jaipur, India. He has been working in the challenging field of computational and theoretical chemistry for the last six years. He completed his PhD with the University of Kalyani, West Bengal, India, in the field of application of QSAR/QSPR methodology in bioactive molecules. He has published many international research papers in peer- reviewed international journals with high-impact factors. Dr. Chakraborty is serving as an editorial board member of the International Journal of Chemoinformatics and Chemical Engineering. He is also reviewer of the World Journal of Condensed Matter Physics (WJCMP). Dr. Chakraborty received the prestigious Paromeswar Mallik Smawarak Padak from Hooghly Mohsin College, Chinsurah (University of Burdwan) in 2002. CONTENTS Contributors ..................................................................................................xi Abbreviations ..............................................................................................xiii Preface .......................................................................................................xvii PART I: Frontiers in Computational Chemistry....................................1 1. Evolutionary Computation: A Critical Overview and a Vision for the Future .......................................................................................3 Sukanchan Palit 2. Theoretical Computation of Periodic Descriptors Invoking Periodic Properties .......................................................................31 Shalini, Prabhat Ranjan, and Tanmoy Chakraborty PART II: Analytical Nanoscience and Nanotechnology ......................41 3. Antimicrobial Activity of Nanosized Photocatalytic Materials.................43 Rakshit Ameta, Monika Trivedi, Jayesh Bhatt, Dipti Soni, Surbhi Benjamin, and Suresh C. Ameta 4. Nanodevices and Organization of Single Ion Magnets and Spin Qubits .............................................................................................67 Francisco Torrens and Gloria Castellano 5. Developing Sustainability Via Nanosystems and Devices: Science–Ethics ...............................................................................................75 Francisco Torrens and Gloria Castellano 6. Synthesis, Characterization, and Bioappplicability of Protein Conjugated Nanomaterials .............................................................85 Divya Mandial and Poonam Khullar PART III: Key Issues in Industrial Chemistry and Chemical Engineering ..................................................................133 7. A Comprehensive Review of Thymoquinone Extraction from Nigella sativa and Its Characterization .....................................................135 Ali Yalçın and Mehmet Gönen