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Simulation Design of the Protease Inhibitor Production Plant and Pollution Control Strategies

Simulation Design of the Protease Inhibitor Production Plant and Pollution Control Strategies

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Simulation Design of the Protease Inhibitor Production Plant and Pollution Control Strategies

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  1. Simulation Design of the Protease Inhibitor Production Plant and Pollution Control Strategies By Mr. Kanatip Ratanachoo

  2. Simulation Design of the Plant • Process Synthesis and Analysis • Environmental Regulation • Pollution Control System and Waste Disposal • Environment Management Strategies Presentation Outline

  3. 1. Simulation Design of the Plant • HIV positive in Thailand ~ 755,000 persons (WHO estimated, end of 1999) • Dose : protease inhibitor (Ritronavir): 600 mg twice daily = 1.2 g/patient/day • Assumption : Market analysis ~ 300,000 persons (40%) need Ritronavir • Production Quantity ~ 131,400 kg/yr Production Quantity

  4. 1. Simulation Design of the Plant (con’t) • Batch Mode • Operating time = 7,920 h/yr • Plant batch time = 24 h • Number of batches per year = 330 • Production Rate = 398 Kg/Batch Plant Mode of Operation

  5. Refer to the United State Patent number 5,846,987 : Retroviral Protease inhibiting compounds. • SuperPro Designer Program Version 3.05 • Limitation and Assumption • - lack of thermodynamic data • - over-engineering • - 90 % conversion of all reaction • - no recycle and waste minimization • - my stupid knowledge in synthesis chemistry 1. Simulation Design of the Plant (con’t) Design consideration

  6. Composed of 9 main reactions, and 8 flowsheet 2. Process Synthesis and Analysis (2S,3S,5S)-5-(N-(N-((N-Methyl-N-(2-isopropyl-4- thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6- diphenyl-3-hydroxyhexane

  7. Reaction 1 Consists of 4 sub-reactions N-(((Benzyl)oxy)carbonyl)-L-phenyllalaninal

  8. Sub-reaction 1

  9. Sub-reaction 2

  10. Sub-reaction 3

  11. Sub-reaction 4

  12. Reaction 2 (2S,3R,4R,5S)-2,5-Bis-(N-(((Benzyl)oxy)carbonyl)amino)-3,4-dihydroxy-1,6- diphenylhexane

  13. Reaction 3 (2S,3R,4R,5S)-3-Acetoxy-2,5-bis-(N-(((Benzyl)oxy)carbonyl)amino)-3- bromo-1,6- diphenylhexane

  14. Reaction 4 (2S,3R,4R,5S)-2,5-Bis-(N-(((benzyl)oxy)carbonyl)amino)-3,4-epoxy-1,6- diphenylhexane

  15. Reaction 5 (2S,3S,5S)-2,5-Bis-(N-(((benzyl)oxy)carbonyl)-1,6-diphenyl-3- hydroxyhexane

  16. Reaction 6 (2S,3S,5S)-2,5-Diamino)-1,6-diphenyl-3-hydrohexane

  17. Reaction 7 (4S,6S,1’S)-6-(1-Amino-2-phenylethyl)-4-benzyl -2-phenyl-3-aza-2-bora-1-oxacyclohexane

  18. Reaction 8 (2S,3S,5S)-5-Amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl -3-hydroxyhexane

  19. Reaction 9 (2S,3S,5S)-5-(N-(N-((N-Methyl-N-(2-isopropyl-4- thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6- diphenyl-3-hydroxyhexane

  20. 3. Environmental Regulation • Ministry of Industry • Ministry of Science, Technology and Environment • Ministry of Interior 3 Ministry involved in Pollution Control

  21. Environmental Regulation(con’t) Air Wastewater Facility and operation Hazardous/solid Waste

  22. Industry(facility and operation) • Factory Act, B.E.2535 • Pharmaceutical Industry : • - Classified in category 46 • - Group 3 industry : must be granted a permit prior to the engagement

  23. Factory Act, B.E.2535 • Enhancement and conservation of National Environmental Quality Act, B.E.2535 • Notification of Ministry of Industry, no.2, B.E.2536 and no.9, 2538 • Notification of Ministry of Interior, Chemical concentration in working condition, B.E.2520 • Ambient Air Standard, Environmental Board B.E. 2538 AIR quality

  24. Factory Act, B.E.2535 • Enhancement and conservation of National Environmental Quality Act, B.E.2535 • Notification of Ministry of Industry, no.2, B.E. 2539 • Notification of Ministry of Science, Technology and Environment, no.3, B.E. 2539 Wastewater

  25. Factory Act, B.E.2535 • Enhancement and conservation of National Environmental Quality Act, B.E.2535 • Notification of Ministry of Industry, no.6, B.E. 2540 • Notification of Ministry of Industry, no.1, B.E.2541 Hazardous/solid waste

  26. 4. Pollution Control System andWaste Disposal • Waste generated from reaction 1 (7 points) • Liquid Waste : 6 points • Air emission : 1 point Total waste produced : 46 points (all reactions)

  27. Total flow : 13,701 m3/yr • Characteristics: • - COD = 1,168,504 kg/yr • - BOD = 124,690 kg/yr • - TKN = 12,360 kg/yr • - TS = 143,637 kg/yr • - TDS = 143,637 kg/yr • - pH = acidic condition • Treatment Method : • - design of a wastewater treatment plant Liquid Waste

  28. Total flow : 60,889 kg/yr • Characteristics: • - Citric acid = 13,846 kg/yr • - Dimethylsulfide = 41,762 kg/yr • - DMSO = 1,297 kg/yr • - HCl = 3,982 kg/yr (1.45E06 mg/m3, std. not more than 200 mg/m3) • Treatment Method : • - Design of a incinerator. Air Emission

  29. Air Emission (con’t) • Design of a Incinerator Unit • Exhaust air to stack : • - CO2 = 104,300 mg/m3 • - HCl = 100 mg/m3 (std. 200 mg/m3) • - O2 = 37,900 mg/m3 • - SO2 = 1,400 mg/m3 (std. = 3,278 mg/m3) • - water = 84,500 mg/m3

  30. Reaction 1 : no • if produced; • Disposal Method • - non-hazardous waste : local municipal authority. • - hazardous waste : GENCO company. Hazardous/solid waste

  31. 5. Environmental Management Strategies • Plant management structure and environmental unit • Environmental monitoring and regulatory report • Environmental management system (EMS)

  32. Environmental Division Administrative Division Engineering Division Operation Division Maintenance Division Purchasing Division Plant Manager Plant management structure and Environmental unit Pollution control system supervisor(no.13, 2525) Pollution control system operators (no.13, 2525)

  33. Environmental Monitoring and regulatory compliance • Stack monitoring : every 3 months • Ambient monitoring : once a month • Working environmental : twice a year. AIR quality monitoring

  34. Environmental Monitoring and regulatory compliance (con’t) • Inlet-outlet (treatment system) : twice a month • Plant outlet : twice a month Effluent quality monitoring • Hazardous waste monitoring • Recording the type, quantity and disposal method at the time of waste generated and dispose.

  35. Department of Industrial works : every 3 months (stack monitoring, inlet-outlet treatment system, and plant outlet) • Department of Industrial works : once a year (hazardous waste data) • Ministry of Interior : twice a year (chemical concentration in working environment) • Keep environmental records for random and periodical audit at the plant Regulatory Reporting and Recording

  36. ISO 14001 or TIS/ISO 14001 : Environmental Management System (EMS) Environmental Management System (EMS)

  37. Simulation Modeling (SuperPro Designer) • - required it before setting-up a plant • - scale-up of plant • - reaction synthesis and analysis • - reactor volume • - functionality • - environmental impact evaluation • - waste treatment system • - economic analysis Conclusion Plant Design

  38. Conclusion (con’t) • Limitations • - thermodynamic data of some reagents, reactions and associated products • - patent and synthesis pathway • - synthesis chemist • - competent in SuperPro Designer • - waste recycle and minimization • - cost-effectiveness analysis Plant Design (con’t)

  39. Conclusion (con’t) • Achievement • - establish a bulk scale infrastructure of protease inhibitor production plant • - establish a process synthesis and analysis of reaction 1 and waste treatment system • - exploited of computer simulation modeling • - logical scheme for real world situation Plant Design (con’t)

  40. Conclusion (con’t) • Environmental regulations are the important issues which the plant have to deal with and follow • Plant should be designed at the best standard, and more stringent to protect the environment • Pollution control system must be designed, constructed and installed • Environmental management have to set-up for ensuring the environmental performance and continual improvement Pollution Control strategies

  41. Prof. John, Prof. Ram and Dr.Ganesh • Dr. Maria and Dr. Suvit • Asso. Prof. Dr. Somsak R. • Dr. Poolsak S. (laboratory of Medical chemistry, CRI.) • Dr. Army • CRI staffs • “My beloved girlfriend” Acknowledgement

  42. Punishment ?? “ Usually interrupt my work by taking me to have some delicious meals”

  43. Thank you very much for your kind attention