Process Calculations Venkataramani Pdf
Uploaded by:Ebooks hemical EngineeringMore Books, softwares & tutorials Related to Chemical Engineering Join Us @facebook: Engineering/30 @facebook: @facebook: CALCULATIONSPROCESS CALCULATIONSSECOND EDITIONV. VENKATARAMANIFormerly Professor Department of Chemical Engineering National Institute of Technology TiruchirappalliN. ANANTHARAMANProfessor Department of Chemical Engineering National Institute of Technology TiruchirappalliK.M. MEERA SHERIFFA BEGUMAssociate Professor Department of Chemical Engineering National Institute of Technology Tiruchirappalli New Delhi-1PROCESS CALCULATIONS, Second EditionV. Venkataramani, N. Anantharaman and K.M.
Meera Sheriffa Begum© 2011 by PHI Learning Private Limited, New Delhi. All rights reserved. No part of this book may be reproduced in any form, bymimeograph or any other means, without permission in writing from the publisher.ISBN-978-81-203-4199-9The export rights of this book are vested solely with the publisher.Second Printing (Second Edition) February, 2011Published by Asoke K. Ghosh, PHI Learning Private Limited, M-97, Connaught Circus, New Delhi-110001 and Printed by MeenakshiArt Printers, Delhi-110006.To My Parents— V. Venkataramani — K.M. Meera Sheriffa BegumTo My Mother— N. Xi Preface to the First dition.
Xiii Acknowledgements. Xv1 UNITS AND DIMENSIONS 1–61.1 Introduction. 11.2 Basic Units and Notations. 11.3 Derived Units. 21.4 Definitions. 3Worked Examples.
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Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on. Each of the three isomeric pyridyl radicals (2-, 3-, and 4-dehydropyridines) contains a lone pair and an unpaired electron. As a result, a potential two centered–three electron interaction between the radical electron and the lone pair through-space (TS) and/or through-bond (TB) can exist that may influence the stability of the radicals.
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Due to the change in geometrical positions relative to each other, the strength of interaction can be varied. In this study, we investigated the structural and stability aspects of pyridyl radical isomers with a major emphasis on the interaction of a nitrogen lone pair with the radical center.
Process Calculations Venkataramani Pdf Download
In order to obtain evidence for such interactions, protonated and N-oxide analogues of the corresponding isomeric pyridyl radicals have been considered in such a way to understand the consequences due to unavailability of the lone pair. Similarly, electron attachment and detachment energies at the radical center (vertical detachment energy, VDE, of corresponding anions and vertical ionization energy, VIE, of radical isomers) have been calculated to find out the interaction trend upon modification at the radical center. Different levels of theory including (U)B3LYP/cc-pVTZ, (U)M06/cc-pVTZ, CBS-QB3, single-point energy calculations at (U)CCSD(T)/cc-pVTZ, and multireference CASSCF/cc-pVTZ methods have been employed in this regard. A closer inspection of geometries, relative stability order, spin density, electrostatic potential, molecular orbitals, NBO analysis, and vibrational analysis have showed a strong and stabilizing TS interaction between the radical center and the lone pair in the case of the 2-pyridyl radical.
On the other hand, the 4-pyridyl radical showed stabilizing interactions only via TB coupling, whereas the TS interaction is nonexistent. Despite the presence of both interactions in the case of the 3-pyridyl radical, their overall influence is less effective toward stability. This article is cited by2 publications. Chitranjan Sah, Ajit Kumar Yadav, Sugumar Venkataramani. Deciphering Stability of Five-Membered Heterocyclic Radicals: Balancing Act Between Delocalization and Ring Strain.
The Journal of Physical Chemistry A 2018, 122(24), 5464-5476.DOI: 10.1021/acs.jpca.8b03145. Mayank Saraswat, Sugumar Venkataramani. Through bond and through space interactions in dehydro-diazine radicals: a case study of 3c-5e interactions. Physical Chemistry Chemical Physics 2018, 20(6), 4386-4395.DOI: 10.1039/C7CP07579K.