Applied Chemistry and Chemical Engineering, Volume 1 : Mathematical and Analytical Techniques

"This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior.Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed.Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering."--Provided by publisher. � Read more... Abstract: "This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior.Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed.Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering."--Provided by publisher Content: Digraphs, Graphs and Thermodynamic EquationsLionello PoglianiUsefulness and Limits of Predictive RelationshipsEmili Besalu, Lionello Pogliani, and J. Vicente de Julian-OrtizComputational Model for By-Product of Wastewater TreatmentSeyede Marya, Vahedi, Hossein Hariri Asli, and Kaveh Hariri AsliComplex Calculation of a Critical Path of Motion of a Corpuscle Taking into Account a Regime and Design of the ApparatusR. R. Usmanova and G. E. ZaikovThe Modern Approach to Modelling and Calculation of Efficiency of Process of a Gas CleaningR. R. Usmanova and G. E. ZaikovNumerical Modelling and Visualization of Traffic of Dispersion Particles in the ApparatusR. R. Usmanova and G. E. ZaikovComputing the Augmented Eccentric Connectivity Indices of Nanostar Dendrimer D3[N]Wei Gao, Mohammad Reza Farahani, and Muhammad Kamran JamilHydraulic Model Calibration ProcessKaveh Hariri Asli, Soltan Ali, Ogli Aliyev, and Hossein Hariri AsliQuantum-Chemical Calculations of the Molecules 1- Methylbicycleo[4,1,0] Heptane 2,4-Spiroheptane by PM3 MethodV. A. Babkin, D. S. Andreev, V. V. Petrov, E. V. Belozerova, O. V. Stoyanov, and G. E. ZaikovDistrict Meter Area (DMA) of Water Distribution SystemKaveh Hariri Asli and Hossein Hariri AsliMetal Control on Structure and Function of Ni(Fe) Dioxygenases Included in methionine salvage pathway. Role of Tyr-Fragment and Macrostructures in Mechanism of Catalysis on Model SystemsL. I. Matienko, L. A. Mosolova, V. I. Binyukov, E. M. Mil, and G. E. ZaikovThe Silica-Polymer Composites of The System of HEMA-TEOS: The Synthesis, Thermo Mechanical Properties and the Features of the Kinetic of the ProcessG. Khovanets, Yu. Medvedevskikh, V. Zakordonskiy, T. Sezonenko, and G. ZaikovPhoto Responsive Materials Containing Azomoieties: A Facile Approach in Molecular ImprintingT. Sajini, Beena Mathew, and Sam JohnGreen Nanotechnology: An Approach towards Environment SafetyAnamika SinghA Note on Preparation of Nanofilter from Carbon NanotubesM. Ziaei and S. RafieiControl of Fluidic Jet Repulsion in Electro Spinning ProcessM. Ziaei and S. RafieiModification of Urea-Formaldehyde Resin with Collagen BiopolymersJan Sedliacik, Jan Matyasovsky, Peter Jurkovic, Maria Smidriakova, and Ladislav SoltesA Research Note on Polymerization of 2-Hydroxyethyl Methacrylate Initiated with Vanadyl Ionic ComplexSvetlana N. Kholuiskaya, Vadim V. Minin, and Alexei A. Gridnev Cover 1 Half Title 2 Title 4 Copyright 5 ABOUT THE EDITORS 6 CONTENTS 10 LIST OF CONTRIBUTORS 12 LIST OF ABBREVIATIONS 16 PREFACE 18 Part I: Modern Approaches to Modelling and Calculation 20 Chapter 1. Digraphs, Graphs, and Thermodynamics Equations 22 Chapter 2. Usefulness and Limits of Predictive Relationships 36 Chapter 3. Computational Model for Byproduct of Wastewater Treatment 50 Chapter 4. Complex Calculation of a Critical Path of Motion of a Corpuscle Taking into Account a Regime and Design of the Apparatus 94 Chapter 5. The Modern Approach to Modeling and Calculation of Efficiency of Process of a Gas Cleaning 108 Chapter 6. Numerical Modeling and Visualization of Traffic of Dispersion Particles in the Apparatus 122 Chapter 7. Computing the Augmented Eccentric Connectivity Indices of the Nanostar Dendrimer D3[N 132 Chapter 8. Hydraulic Model Calibration Process 140 Chapter 9. Quantum-Chemical Calculations of the Molecules 1-Methylbicyclo [4,1,0] Heptane 2,4-Spiroheptane by Pm3 Method 158 Chapter 10. Model-Based Investigation of Transport Phenomena in WDNs 164 Part II: Experimental Designs 206 Chapter 11. Metal Control on Structure and Function of Ni(Fe) Dioxygenases Included in Methionine Salvage Pathway: Role of Tyr-Fragment and Macrostructures in Mechanism of Catalysis on Model System 208 Chapter 12. The Silica–Polymer Composites of the System of HEMA-TEOS: The Synthesis, Thermomechanical Properties, and the Features of the Kinetic of the Process 232 Chapter 13. Photoresponsive Materials Containing Azomoieties—A Facile Approach in Molecular Imprinting 246 Chapter 14. Green Nanotechnology: An Approach Toward Environment Safety 264 Chapter 15. A Note on Preparation of Nanofilter from Carbon Nanotubes 272 Chapter 16. Control of Fluidic Jet Repulsion in the Electrospinning Process 282 Chapter 17. Modification of Urea–Formaldehyde Resin with Collagen Biopolymers 294 Chapter 18. A Research Note on Polymerization of 2-Hydroxyethyl Methacrylate Initiated with Vanadyl Ionic Complex 318 Index 328 Mathematical and Analytical Techniques "Understanding mathematical modeling is fundamental in chemical engineering. This book reviews, introduces, and develops the mathematical models that are most frequently encountered in sophisticated chemical engineering domains. The volume provides a collection of models illustrating the power and richness of the mathematical sciences in supplying insight into the operation of important real-world systems. It fills a gap within modeling texts, focusing on applications across a broad range of disciplines. The first part of the book discusses the general components of the modeling process and highlights the potential of modeling in the production of nanofibers. These chapters discuss the general components of the modeling process and the evolutionary nature of successful model building in the electrospinning process. Electrospinning is the most versatile technique for the preparation of continuous nanofibers obtained from numerous materials. This section of book summarizes the state-of-the art in electrospinning as well as updates on theoretical aspects and applications.Part 2 of the book presents a selection of special topics on issues in applied chemistry and chemical engineering, including nanocomposite coating processes by electrocodeposition method, entropic factors conformational interactions, and the application of artificial neural network and meta-heuristic algorithms.This volume covers a wide range of topics in mathematical modeling, computational science, and applied mathematics. It presents a wealth of new results in the development of modeling theories and methods, advancing diverse areas of applications and promoting interdisciplinary interactions between mathematicians, scientists, engineers and representatives from other disciplines."--Provided by publisher "This new book brings together innovative research, new concepts, and novel developments in the application of informatics tools for applied chemistry and computer science. It presents a modern approach to modeling and calculation and also looks at experimental design in applied chemistry and chemical engineering. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. Providing numerous comparisons of different methods with one another and with different experiments, not only does this book summarize the classical theories, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas of chemistry and chemical engineering science, which have important application to practice, are discussed. Applied Chemistry and Chemical Engineering: Volume 1: Mathematical and Analytical Techniques provides valuable information for chemical engineers and researchers as well as for graduate students. It demonstrates the progress and promise for developing chemical materials that seem capable of moving this field from laboratory-scale prototypes to actual industrial applications. Volume 2 will focus principles and methodologies in applied chemistry and chemical engineering."--Provided by publisher Volume 1. Mathematical and analytical techniques -- volume 2. Principles, methodology, and evaluation -- volume 3. Interdisciplinary approaches to theory -- volume 4. Experimental techniques and methodical developments -- volume 5. Research methodologies in modern chemistry and applied science