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.

Key Features

  • 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


Chemical and Process Safety professionals, faculty and graduate researchers.

Table of Contents

1. Introduction
2. Process Safety
3. Molecular Modeling in Process Safety
4. CFD in Process Safety
5. Finite Elements and Process Simulation in Process Safety
6. Equipment Failure
7. Inherently Safer Design
8. Industrial Hygiene and Toxicological Issues
9. Conclusion
10. Exercises


No. of pages:
© 2016
Electronic ISBN:
Print ISBN:
Print ISBN:

About the authors

Arnab Chakrabarty

Arnab Chakrabarty is a Consultant at Process Systems Enterprise. Previously he has worked as a Process Technology Engineer at MEMC Electronic Materials and as a Project Consultant/Scientist, for Baker Engineering and Risk Consultants, Inc.

Sam Mannan

Artie McFerrin Department of Chemical Engineering, Texas A&M University , College Station, TX, USA

Tahir Cagin

Tahir Cagin is a Professor at Artie McFerrin Department of Chemical Engineering, Texas A&M University.