Computer Aided drug development
Unit 5 Artificial intelligence , Robotics and Computational
fluid dynamics in pharmacy
Computational Fluid dynamics
Name of student : Under Guidance of Teacher :
Miss . Shagufta Rafik shikalgar Mrs . Shalaka Pataki mam
M pharm sem 2 ( Pharmaceutics )
Roll no. 15
Content :
• Introduction
• Application
• Advantages
• Disadvantages
• Theoretical principles
• Future aspects.
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Computational Fluid Dynamics:
• Computational fluid dynamics (CFD) is the science of using computers to predict
liquid and gas flow based on the governing equations of conversation of mass,
momentum and energy .
• This is a valuable tool in the pharmaceutical industry for optimizing processes and
equipment .
• It uses numerical methods to solve and analyse different problems that involve
fluid flow ,heat transfer , mass transfer and chemical reaction.
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Computational Fluid Dynamics:
• Specific Examples:
1. Inhaler Development : improve treatment effectiveness
2. Mixing in Reactors: Ensuring homogeneity
3. Dissolution Apparatus: Accurate in vitro testing of drug release
4. Freeze Drying: Ensure product quality & efficient drying cycle
5. Coating Processes: Ensure consistent and uniform coating thickness
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Theoretical Principles of CFD
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Advantages of CFD :
Time & cost reduction
More accurate result
Detailed visualization
CFD
Early stage decision Accessibility to complex
making environments
Environmental and safety
benefits
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Disadvantages of CFD :
High
computational cost
Limited real world Requires Expertise
effects
CFD
Difficult validation Modelling limitations
Potential for
accurate results
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Application of CFD in pharmaceutics
• Optimization of process parameters in the manufacture , e.g. fluidized bed dryer .
• Performance of design / equipment ,e.g. Dissolution apparatus .
• Effectiveness of drug delivery , e.g. Inhaler .
• Solving heat and mass transfer events, e.g. flow equations and complex algorithm
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Application of CFD in pharmaceutics
• The application of CFD to a few key unit operations and processes in the
pharmaceutical industry was described as follows .
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Theoretical Principles of CFD
• Computational fluid dynamics (CFD) deals with the finding numerical solutions in
the form of equations describing the fluid flow in the entire system .
• Discrete means careful or showing good judgment in what one says or does.
• Grid points or grid notes are discrete points defined in the space for solving
differential equations representing the fluid flow .
• Grid cell is formed by connecting the grid points with straight lines .
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Graphic representation :
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Graphic representation :
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Future Scope :
• The future directions of Computational Fluid Dynamics (CFD) in the
pharmaceutical industry are increasingly promising as the field continues to
evolve with advancements in computing power, modeling techniques, and
regulatory acceptance.
• Future scope of CFD are shown on next slide table chart .
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Future Scope :
Area Future directions
AI/ML Automation optimization and prediction analysis
Drug delivery Precision targeting and device design
Bioprocessing Improved scale up and uniformity
Manufacturing Support for continues production
Modeling Coupled , multiscale simulations
Regulation Digital twins and model informed development
Computing Cloud based real time simulations
Personalization Patient specific therapeutic modeling
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Conclusion :
CFD has become a powerful and indispensable tool in the pharmaceutical industry .
It allows for precise simulation and analysis of fluid flow , mixing , heat transfer and
particle dynamics in various drug development and manufacturing processes.
As the industry moves towards digital transformation and model informed
development ,CFD offers a science based , cost effective approach to process design
,scale up , and validation .Its integration with advanced technologies like AI ,
machine learning ,and digital twins further expands its potential in creating safer ,
faster , and more efficient pharmaceuticals solutions.
References:
• CVS Subrahmanyam ;pg. no. 102-121
• A review article of Computational fluid dynamics : An introduction
• [Link] CADD
• [Link] Artificial intelligence ,robotics and CFD
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