Development process, high level overview

In this chapter I will provide a brief historic perspective, outline the manufacturing drivers for process analysis, provide a high-level overview of process analytical instrumentation, describe the PA method development life cycle prior to implementation and highlight the common pitfalls and challenges within the PA field. I have taken a pragmatic approach herein as the many benefits of PA are realized when a suitable process instrument and method is successfully implemented within a routine manufacturing environment, which is most often a multifaceted endeavor. 

Figure 1.1 High Level Overview of the JHA Development Process. Based on and adapted using Roughton and Crutchfield (2008).

In this book, the experts who have developed and tested many of the currently used electronic structure procedures present an authoritative overview of the theoretical tools for the computation of thermochemical properties of atoms and molecules. The first two chapters describe the highly accurate, computationally expensive approaches that combine high-level calculations with sophisticated extrapolation schemes. In chapters 3 and 4, the widely used G3 and CBS families of composite methods are discussed. The applications of the electron propagator theory to the estimation of energy changes that accompany electron detachment and attachment processes follow in chapter 5. The next two sections of the book focus on practical applications of the aforedescribed... 

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