Towards an Information-Rich Process Development. Part I: Interfacing Experimentation with Qualitative/Semiquantitative Modelling

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• 作者：Divine A. Obenndip and Paul N. Sharratt
• 刊名：Organic Process Research & Development
• 出版年：2006
• 出版时间：May 2006
• 年：2006
• 卷：10
• 期：3
• 页码：430 - 440
• 全文大小：426K
• 年卷期：v.10,no.3(May 2006)
• ISSN：1520-586X

文摘

In today's competitive environment, the low-tonnage chemicalsindustry (fine and effect chemicals) is under increasing pressureto deliver more products to the market quicker and more costeffectively. Process development is a critical phase in bringinga fine chemical product from discovery to the market andrequires the provision of an efficient framework for the captureof process knowledge and understanding. This is traditionallydone by somewhat indirect means-either through buildingunderstanding in individuals or the construction of a mathematical or physical model of the process. Such approachessuffer from two defects: first they do not collect understandingin a form that is readily shared by all the technologists involved,and second they do not collect understanding early enough indesign. For example, the data required for the detailed modelling of a process is often only available well after the processconfiguration is fixed and properties can be measured underrelevant conditions. Considering a liquid biphase reactionsystem, this paper demonstrates the interaction of targetedexperimentation and qualitative/semiquantitative reaction evaluation to allow capture, testing, and sharing of understandingmuch earlier in design. The resultant qualitative predictionsare tested against experimental observations to identify aspectswhere the qualitative model needs refinement. Recommendations for using more rigorous process analysis tools to explainthese so-called anomalous observations are thus made.