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CFD-Assisted Design of Microreactor and Evaluation for Continuous Drug Synthesis

Varposhti, Daniel | 2023

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 55828 (06)
  4. University: Sharif University of Technology
  5. Department: Chemical and Petroleum Engineering
  6. Advisor(s): Kazemeini, Mohammad; Hosseinpour, Vahid
  7. Abstract:
  8. Manufacturing in many industries, such as electronics, petrochemical, automotive, and food, has long relied on continuous approaches, while the pharmaceutical industry has traditionally been processed in batch reactors. Since the beginning of the third millennium, continuous drug synthesis has received attention due to its multiple advantages over batch systems, which include process safety, adaptability, controllability, economic efficiency, scale-up, and enhancing performance. In this project, the pharmaceutical intermediate 1,4-benzodiazepine, which is usable as a precursor of diazepam and flurazepam, is continuously synthesized in a 400 microliters integrated micromixer and microreactor designed with the aid of computational fluid dynamics and fabricated utilizing 3D printing. The samples are analyzed by the quantitative nuclear magnetic resonance technique and synthesized according to the design of experiments. The ratio of reactants, residence time, and temperature are considered system factors prior to modeling, simulation, and optimization calculations. In the end, it is revealed that the effect of the mentioned factors on the system response is positive, positive, and negative, respectively; there is an interaction between the second and third factors, and the first factor imposes a non-linear effect on the results. Furthermore, the optimal values of the factors are estimated to be 27.5, 25 minutes, and 20 degrees Celsius, respectively, and by applying them, an efficiency of approximately 38 percent for the reaction is obtained, which indicates a 6 percent increase in the performance of the process compared to the batch mode with the same conditions
  9. Keywords:
  10. Computational Fluid Dynamics (CFD) ; Microreactor ; Microfluidic System ; Three Dimentional Printing ; Continuous-Flow Synthesis ; Flow Chemistry ; Benzodiazepine ; Drug Synthesis

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