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This book presents the latest advances in flowsheet simulation of solids processes, focusing on the dynamic behaviour of systems with interconnected solids processing units, but also covering stationary simulation. The book includes the modelling of solids processing units, for example for comminution, sifting and particle formulation and also for reaction systems. Furthermore, it examines new approaches for the description of solids and their property distributions and for the mathematical treatment of flowsheets with multivariate population balances.
The book presents a series of articles devoted to modeling, simulation, and optimization of processes, mainly chemical. General methods for process modeling and numerical simulation are described with flowsheeting. Population balances are addressed in detail with application to crystal production; energy saving is frequently optimized, including exergy analysis. The coupling between process simulation and computational fluid dynamics is studied for air classification and bubble columns. Pressure swing adsorption, reactive distillation, and nanofiltration are explained in general and applied to particular processes. The synthesis of carbon dots is solved by the design of experiments method. A safety study addresses the consequences of gas explosion.
Fluidized bed dryers are the prime choice when it comes to drying of heat sensitive products, commonly processed in the pharmaceutical and food industry. As many products in these industries are fine and cohesive, mechanical vibration of the dryer is used to enable or improve fluidization. Thus, the goal of this thesis is the development of a fluidized bed drying model that accounts for the influence of mechanical vibration of the dryer, as well as its implementation in an open-source flowsheet simulation framework. Continuously operated fluidized bed dryers under steady-state conditions are the focus of this thesis. The aim during model development and implementation is the broadest possible application range of the model. A custom-built vibrated fluidized bed dryer is designed and constructed for comprehensive investigations of fluidized bed hydrodynamics and drying kinetics. Based on experimental investigations, a semi-empirical model for hydrodynamics of fine and cohesive powders is developed. The new model is combined with established models to allow for the flowsheet simulation of fluidized bed dryers for particles of all Geldart groups. Additionally, the influence of vibration is accounted for. Comprehensive validation experiments are performed for particles of different Geldart groups, different dryer geometries and a variety of process parameters, including mechanical vibration. Comparison of model predictions with experimental data attributes high accuracy of predicted particle and gas properties. Furthermore, sensitivity analyses are conducted to identify potential weaknesses in underlying model assumptions. Hereby, the validity of underlying assumptions is confirmed and potential optimization parameters for different applications are identified. The proposed model is unprecedented in terms of range of process parameters, variety of particle properties and dryer geometries, tested and found valid for.
Advanced Techniques in Computing Sciences and Software Engineering includes a set of rigorously reviewed world-class manuscripts addressing and detailing state-of-the-art research projects in the areas of Computer Science, Software Engineering, Computer Engineering, and Systems Engineering and Sciences. Advanced Techniques in Computing Sciences and Software Engineering includes selected papers form the conference proceedings of the International Conference on Systems, Computing Sciences and Software Engineering (SCSS 2008) which was part of the International Joint Conferences on Computer, Information and Systems Sciences and Engineering (CISSE 2008).
In this Ph.D. thesis a system of coupled fluidized bed reactors is modelled and simulated dynamically. Chemical Looping Combustion was used as an exemplary process in both the numerical and the experimental part of this work. For the simulation purpose a novel flowsheeting software was used and models for the needed process units developed and integrated into this software. The needed unit models were three interconnected fluidized bed reactors in circulating and bubbling operation conditions, a cyclone for gas-solid separation and loop seals, which ensured solids transport and gas separation between the reactors. Additionally, lab scale experiments on the reactivity of the used solids, oxygen carrier and solid fuels, were conducted and kinetic parameters extracted. All unit models were connected to a process flowsheet and simulated dynamically. The simulation results were compared to experimental data from a 25 kWth pilot plant operated at the university by the author. It could be shown that a detailed and dynamic simulation of the whole process can be carried out over a time period of more than 45 minutes and the experimental results from start-up, steady state operation and shutdown of the plant were predicted accurately.
Continuous pharmaceutical manufacturing is currently receiving much interest from industry and regulatory authorities, with the joint aim of allowing rapid access of novel therapeutics and existing medications to the public, without compromising high quality. Research groups from different academic institutions have significantly contributed to this field with an immense amount of published research addressing a variety of topics related to continuous processing. The book is structured to have individual chapters on the different continuous unit operations involved in drug substance and drug product manufacturing. A wide spectrum of topics are covered, including basic principles of continuous manufacturing, applications of continuous flow chemistry in drug synthesis, continuous crystallization, continuous drying, feeders and blenders, roll compaction and continuous wet granulation.The underlying theme for each of these chapters is to present to the reader the recent advances in modeling, experimental investigations and equipment design as they pertain to each individual unit operation. The book also includes chapters on quality by design (QbD) and process analytical technology (PAT) for continuous processing, process control strategies including new concepts of quality-by-control (QbC), real-time process management and plant optimization, business and supply chain considerations related to continuous manufacturing as well as safety guidelines related to continuous chemistry. A separate chapter is dedicated to discussing regulatory aspects of continuous manufacturing, with description of current regulatory environment quality/GMP aspects, as well as regulatory gaps and challenges. Our aim from publishing this book is to make it a valuable reference for readers interested in this topic, with a desire to gain a fundamental understanding of engineering principles and mechanistic studies utilized in understanding and developing continuous processes. In addition, our advanced readers and practitioners in this field will find that the technical content of Continuous Pharmaceutical Processing is at the forefront of recent technological advances, with coverage of future prospects and challenges for this technology.
A comprehensive look at existing technologies and processes for continuous manufacturing of pharmaceuticals As rising costs outpace new drug development, the pharmaceutical industry has come under intense pressure to improve the efficiency of its manufacturing processes. Continuous process manufacturing provides a proven solution. Among its many benefits are: minimized waste, energy consumption, and raw material use; the accelerated introduction of new drugs; the use of smaller production facilities with lower building and capital costs; the ability to monitor drug quality on a continuous basis; and enhanced process reliability and flexibility. Continuous Manufacturing of Pharmaceuticals prepares professionals to take advantage of that exciting new approach to improving drug manufacturing efficiency. This book covers key aspects of the continuous manufacturing of pharmaceuticals. The first part provides an overview of key chemical engineering principles and the current regulatory environment. The second covers existing technologies for manufacturing both small-molecule-based products and protein/peptide products. The following section is devoted to process analytical tools for continuously operating manufacturing environments. The final two sections treat the integration of several individual parts of processing into fully operating continuous process systems and summarize state-of-art approaches for innovative new manufacturing principles. Brings together the essential know-how for anyone working in drug manufacturing, as well as chemical, food, and pharmaceutical scientists working on continuous processing Covers chemical engineering principles, regulatory aspects, primary and secondary manufacturing, process analytical technology and quality-by-design Contains contributions from researchers in leading pharmaceutical companies, the FDA, and academic institutions Offers an extremely well-informed look at the most promising future approaches to continuous manufacturing of innovative pharmaceutical products Timely, comprehensive, and authoritative, Continuous Manufacturing of Pharmaceuticals is an important professional resource for researchers in industry and academe working in the fields of pharmaceuticals development and manufacturing.
The European Symposium on Computer Aided Process Engineering (ESCAPE) series presents the latest innovations and achievements of leading professionals from the industrial and academic communities. The ESCAPE series serves as a forum for engineers, scientists, researchers, managers and students to present and discuss progress being made in the area of computer aided process engineering (CAPE). European industries large and small are bringing innovations into our lives, whether in the form of new technologies to address environmental problems, new products to make our homes more comfortable and energy efficient or new therapies to improve the health and well being of European citizens. Moreover, the European Industry needs to undertake research and technological initiatives in response to humanity's "Grand Challenges," described in the declaration of Lund, namely, Global Warming, Tightening Supplies of Energy, Water and Food, Ageing Societies, Public Health, Pandemics and Security. Thus, the Technical Theme of ESCAPE 21 will be "Process Systems Approaches for Addressing Grand Challenges in Energy, Environment, Health, Bioprocessing & Nanotechnologies."
Provides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 introduces a variety of current and emerging computational techniques for pharmaceutical research. Bringing together experts from academia, industry, and regulatory agencies, this edited volume also explores the current state, key challenges, and future outlook of computational pharmaceutics while encouraging development across all sectors of the field. Throughout the text, the authors discuss a wide range of essential topics, from molecular modeling and process simulation to intelligent manufacturing and quantitative pharmacology. Building upon Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0, this new edition provides a multi-scale perspective that reveals the physical, chemical, mathematical, and data-driven details of pre-formulation, formulation, process, and clinical studies, in addition to in vivo prediction in the human body and precision medicine in clinical settings. Detailed chapters address both conventional dosage forms and the application of computational technologies in advanced pharmaceutical research, such as dendrimer-based delivery systems, liposome and lipid membrane research, and inorganic nanoparticles. A major contribution to the development and promotion of computational pharmaceutics, this important resource: Discusses the development track, achievements, and prospects of computational pharmaceutics Presents multidisciplinary research to help physicists, chemists, mathematicians, and computer scientists locate problems in the field of drug delivery Covers a wide range of technologies, including complex formulations for water-insoluble drugs, protein/peptide formulations, nanomedicine, and gene delivery systems Focuses on the application of cutting-edge computational technologies and intelligent manufacturing of emerging pharmaceutical technologies Includes a systematic overview of computational pharmaceutics and Pharma 4.0 to assist non-specialist readers Covering introductory, advanced, and specialist topics, Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 is an invaluable resource for computational chemists, computational analysts, pharmaceutical chemists, process engineers, process managers, and pharmacologists, as well as computer scientists, medicinal chemists, clinical pharmacists, material scientists, and nanotechnology specialists working in the field.
This work develops and shows up methods to tackle multi-scale challenges in particle formation during precipitation crystallization. Firstly, molecular, micro- and meso-scale interactions in confined impinging jet mixers are investigated and simulatively predicted. Secondly, to build up on developed methods, macroscale as present for instance in stirred tank reactors is added to the considerations.