Computational fluid dynamics (CFD), which uses numerical analysis to predict and model complex flow behaviors and transport processes, has become a mainstream tool in engineering process research and development. Complex chemical processes often involve coupling between dynamics at vastly different length and time scales, as well as coupling of different physical models. The multiscale and multiphysics nature of those problems calls for delicate modeling approaches. This book showcases recent contributions in this field, from the development of modeling methodology to its application in supporting the design, development, and optimization of engineering processes.

In this Special Issue, one review paper highlights the necessity of multiscale CFD, coupling micro- and macro-scales, for exchanging information at the interface of the two scales. Four research papers investigate the hydrodynamics, heat transfer, and chemical reactions of various processes using Eulerian CFD modeling. CFD models are attractive for industrial applications. However, substantial efforts in physical modeling and numerical implementation are still required before their widespread implementation.

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

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.

Advances in Synthesis Gas: Methods, Technologies and Applications: Syngas Process Modelling and Apparatus Simulation consists of numerical modeling and simulation of different processes and apparatus for producing syngas, purifying it as well as synthesizing different chemical materials or generating heat and energy from syngas. These apparatus and processes include, but are not limited to, reforming, gasification, partial oxidation, swing technologies and membranes. - Introduces numerical modeling and the simulation of syngas production processes and apparatus - Describes numerical models and simulation procedures utilized for syngas purification processes and equipment - Discusses modelling and simulation of processes using syngas as a source for producing chemicals and power

Computational Fluid Dynamics Applied to Waste-to-Energy Processes: A Hands-On Approach provides the key knowledge needed to perform CFD simulations using powerful commercial software tools. The book focuses on fluid mechanics, heat transfer and chemical reactions. To do so, the fundamentals of CFD are presented, with the entire workflow broken into manageable pieces that detail geometry preparation, meshing, problem setting, model implementation and post-processing actions. Pathways for process optimization using CFD integrated with Design of Experiments are also explored. The book's combined approach of theory, application and hands-on practice allows engineering graduate students, advanced undergraduates and industry practitioners to develop their own simulations. Provides the skills needed to perform real-life simulation calculations through a combination of mathematical background and real-world examples, including step-by-step tutorials Presents worked examples in complex processes as combustion or gasification involving fluid dynamics, heat and mass transfer, and complex chemistry sets

This book contains papers presented at the 13th European Symposium on Computer Aided Process Engineering (ESCAPE-13). The ESCAPE symposia bring together scientists, students and engineers from academia and industry, who are active in the research and application of Computer Aided Process Engineering.The objective of ESCAPE-13 is to promote CAPE applications into new businesses and technologies by highlighting the use of computers and information technology tools in five specific areas: process design; process control and dynamics; modeling, simulation and optimization; applications in pulp and paper industry; and applications in biotechnology.Includes 190 papers selected from 391 submitted abstracts.All papers have been reviewed by 33 members of the international scientific community.