Process Systems Risk Management

Description

Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.Content: Chapter 1 CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated?Molecule Quantum Mechanical Calculations (pages 1–42): A. V. Kazantsev, P. G. Karamertzanis, C. C. Pantelides and C. S. Adjiman Chapter 2 An Introduction to Coarse?Graining Approaches: Linking Atomistic and Mesoscales (pages 43–84): N. Chennamsetty, H. Bock, M. Lisal and J. K. Brennan Chapter 3 Hierarchical Modeling of Polymeric Systems at Multiple Time and Length Scales (pages 85–134): G. Tsolou and V. G. Mavrantzas Chapter 4 Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures (pages 135–172): V. Papaioannou, C. S. Adjiman, G. Jackson and A. Galindo Chapter 5 Optimization?Based Approaches to Computational Molecular Design (pages 173–193): J. C. Eslick, S. M. Shulda, P. Spencer and K. V. Camarda Chapter 6 Molecular Modeling of Formulated Consumer Products (pages 195–206): B. P. Murch, K. L. Anderson, P. Verstraete, W. Laidig, D. T. Stanton, D. M. Eike and P. Koenig Chapter 7 Recent Advances in De Novo Protein Design (pages 207–232): M. L. Bellows, H. K. Fung and C. A. Floudas Chapter 8 Principles and Methodologies for the Controlled Formation of Self?Assembled Nanoscale Structures with Desired Geometries (pages 233–265): E. O. P. Solis, P. I. Barton and G. Stephanopoulos Chapter 9 Computer?Aided Methodologies for the Design of Reaction Solvents (pages 267–305): H. Strubing, S. Konstantinidis, P. G. Karamertzanis, Prof. E. N. Pistikopoulos, Dr. A. Galindo and Dr. C. S. Adjiman