Tools For Chemical Product Design - From Consumer Products to Biomedicine

__Tools for Chemical Product Design: From Consumer Products to Biomedicine__ describes the challenges involved in systematic product design across a variety of industries and provides a comprehensive overview of mathematical tools aimed at the design of chemical products, from molecular design to customer products. Chemical product design has become increasingly important over the past decade and includes a wide range of sectors including gasoline additives and blends in the petroleum industry, active ingredients and excipients in the pharmaceutical industry, and a variety of consumer products and specialty chemicals. Traditionally, such products have been designed through trial and error methods, which not only are time-consuming, but more importantly only provide limited knowledge that can be translated into next generation products. * Features an impressive collection of contributions from leading researchers in the field * Presents the latest tools available across a variety of industries * Describes the challenges involved in systematic product design as well as the latest methods for solving such problems * Covers a wide range of sectors including gasoline additives and blends in the petroleum industry, active ingredients and excipients in the pharmaceutical industry, and a variety of consumer products and specialty chemicals Content: Front MatterPage iii CopyrightPage iv List of ContributorsPages xvii-xviii Chapter 1 - Mathematical Principles of Chemical Product Design and StrategiesPages 3-43L.Y. Ng, N.G. Chemmangattuvalappil, V.A. Dev, M.R. Eden Chapter 2 - Integrated Consumer Preferences and Price/Demand–Driven Product Design: An Alternative to Stage-Gate ProceduresPages 45-59M. Bagajewicz Chapter 3 - VPPD-Lab: The Chemical Product SimulatorPages 61-94S. Kalakul, S. Cignitti, L. Zhang, R. Gani Chapter 4 - Development of a Multiscale Strategy and Application to Chemical Vapor DepositionPages 95-123L.E.K. Achenie, Y. Sharifi, D.G. Lee Chapter 5 - Molecular Property Clustering TechniquesPages 125-149F. Eljack Chapter 6 - Computer-Aided Molecular Design and Property PredictionPages 153-196R. Gani, L. Zhang, S. Kalakul, S. Cignitti Chapter 7 - The Incorporation of Safety and Health Aspects as Design Criteria in a Novel Chemical Product Design FrameworkPages 197-220J.Y. Ten, M.H. Hassim, D.K.S. Ng, N.G. Chemmangattuvalappil Chapter 8 - Molecular Design in the Pharmaceutical IndustriesPages 221-238K. Boone, F. Abedin, M.R. Anwar, K.V. Camarda Chapter 9 - Ionic Liquid Product DesignPages 239-268A.T. Karunanithi, R. Farahipour Chapter 10 - Integrated Multiobjective Molecular and Process Design: Operational and Computational FrontiersPages 269-313A.I. Papadopoulos, P. Linke, P. Seferlis Chapter 11 - The Signature Molecular Descriptor in Molecular Design: Past and Current ApplicationsPages 315-343D.P. Visco Jr., J.J. Chen Chapter 12 - Integrated Process and Product Design OptimizationPages 347-372F.P. Bernardo Chapter 13 - Tools for Formulated Product DesignPages 373-392M. Martín, A. Martínez Chapter 14 - Simulation-Based Food Process DesignPages 393-415T.E. Moxon, S. Bakalis Chapter 15 - A Structured Approach for Product-Driven Process Synthesis in Foods ManufactureaPages 417-441C. Almeida-Rivera, P. Bongers, E. Zondervan Chapter 16 - Managing Risk in the Design of Product and Closed-Loop Supply Chain StructurePages 443-474L.J. Zeballos, C.A. Méndez Chapter 17 - Optimization of Blending-Based ProductsPages 475-486N.A. Yunus, Z.A. Manan Chapter 18 - Decomposition-Based Optimization of Tailor-Made Green Diesel BlendsPages 487-505L.Y. Phoon, H. Hashim, R. Mat, A.A. Mustaffa Chapter 19 - Strategies for Structured Particulate Systems DesignPages 509-579C. Amador, L. Martin de Juan Chapter 20 - Computational Tools for the Study of BiomoleculesPages 583-648P.G. Jambrina, J. Aldegunde Chapter 21 - Walk-In Brain: Virtual Reality Environment for Immersive Exploration and Simulation of Brain Metabolism and FunctionPages 649-658G. Hartung, A. Alaraj, A. Linninger IndexPages 659-681

Tools for Chemical Product Design: From Consumer Products to Biomedicine describes the challenges involved in systematic product design across a variety of industries and provides a comprehensive overview of mathematical tools aimed at the design of chemical products, from molecular design to customer products.

Chemical product design has become increasingly important over the past decade and includes a wide range of sectors including gasoline additives and blends in the petroleum industry, active ingredients and excipients in the pharmaceutical industry, and a variety of consumer products and specialty chemicals. Traditionally, such products have been designed through trial and error methods, which not only are time-consuming, but more importantly only provide limited knowledge that can be translated into next generation products.

• Features an impressive collection of contributions from leading researchers in the field
• Presents the latest tools available across a variety of industries
• Describes the challenges involved in systematic product design as well as the latest methods for solving such problems
• Covers a wide range of sectors including gasoline additives and blends in the petroleum industry, active ingredients and excipients in the pharmaceutical industry, and a variety of consumer products and specialty chemicals

This book describes the challenges involved in systematic product design across a variety of industries and provides a comprehensive overview of mathematical tools aimed at the design of chemical products, from molecular design to customer products. Chemical product design has become increasingly important over the past decade and includes a wide range of sectors including gasoline additives and blends in the petroleum industry, active ingredients and excipients in the pharmaceutical industry, and a variety of consumer products and specialty chemicals. Traditionally, such products have been designed through trial and error methods, which not only are time-consuming, but more importantly only provide limited knowledge that can be translated into next generation products. -- Provided by publisher