CHROMWORKS<br />in Pharma<br />Create a unique usefulness in continuous chromatography<br />Copyright © 2011 ChromWorks, I...
Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Mo...
Introduction<br />ChromWorks is a computer modeling software for simulation, design, analysis and optimization of continuo...
VARICOL
Intermittent SMB
Bio-chromatography†
Refining SMB (Parex, Eluxyl)†
Batch elution/gradient chromatography</li></ul>† Under development<br />
Introduction<br />ChromWorks has sub-systems based on industry domain and the specific type of chromatography application....
Bio-Pharmaceuticals (Large molecules, e.g. Proteins)†
Petrochemicals (Bulk hydrocarbons, e.g. Xylenes)†</li></ul>† Under development<br />
Introduction<br />ChromWorksin Pharmais a dedicated modeling system for manufacturing chromatography processes in Pharmace...
Design parameter acquisition (ECP and Dynamic estimation)
Equilibrium
Mass transfer
Dispersion
Process simulation (SMB, VARICOL, Intermittent SMB)
Quality by Design analysis (Temperature/Solvent Gradients)</li></li></ul><li>Contents<br />Introduction<br />Challenges in...
Challenges in the Laboratory<br />Separation feasibility <br />Stationary phase evaluation and solvent screening<br />Data...
Challenges in the Conceptual Design<br />Process design<br />Number of columns<br />Zone configuration<br />Valve switchin...
Challenges in the Operation<br />Quality by Design (QbD)<br />Extra column dead volume<br />Non-homogeneous column set<br ...
Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Mo...
Differentiation! Differentiation! Differentiation!<br />Easiest-to-use interface among peer-class simulators<br />Software...
{ Adaptive Mesh Refinement as PDE method }<br />The ChromWorks solver uses the adaptive mesh refinement algorithm for spat...
{ Equilibrium Models Supported in Version 1.0 }<br />Langmuir<br />Linear<br />Modified Langmuir<br />Generalized Langmuir...
Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Mo...
{ SMB and VARICOL Process Models }<br />These are top-level assumptions used in the mathematical models of SMB and VARICOL...
{ Dead Volume Modeling }<br />ChromWorks uses "As is" approach to address the system dead volume in SMB and VARICOL proces...
{ Non-homogeneous Column Set }<br />ChromWorks uses "As is" approach to address a non-homogeneous column set on SMB and VA...
{ Triangle Theory }<br />ChromWorks’s Triangle Theory provides explicit criteria for the choice of the operating condition...
{ ECP Isotherm Estimation }<br />In industry, the ECP (Elution by Characteristic Points) method is used extensively to obt...
{ Dynamic Estimation }<br />Using the user interface that is designed for dynamic estimation, one can utilize real process...
Upcoming SlideShare
Loading in …5
×

Chrom works introduction

484 views

Published on

0 Comments
0 Likes
Statistics
Notes
  • Be the first to comment

  • Be the first to like this

No Downloads
Views
Total views
484
On SlideShare
0
From Embeds
0
Number of Embeds
11
Actions
Shares
0
Downloads
9
Comments
0
Likes
0
Embeds 0
No embeds

No notes for slide

Chrom works introduction

  1. 1. CHROMWORKS<br />in Pharma<br />Create a unique usefulness in continuous chromatography<br />Copyright © 2011 ChromWorks, Inc.<br />www.chromworks.com<br />
  2. 2. Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  3. 3. Introduction<br />ChromWorks is a computer modeling software for simulation, design, analysis and optimization of continuous and preparative chromatography processes:<br /><ul><li>Simulated Moving Bed (SMB)
  4. 4. VARICOL
  5. 5. Intermittent SMB
  6. 6. Bio-chromatography†
  7. 7. Refining SMB (Parex, Eluxyl)†
  8. 8. Batch elution/gradient chromatography</li></ul>† Under development<br />
  9. 9. Introduction<br />ChromWorks has sub-systems based on industry domain and the specific type of chromatography application. <br /><ul><li>Pharmaceuticals (Small molecules, e.g. Enantiomers)
  10. 10. Bio-Pharmaceuticals (Large molecules, e.g. Proteins)†
  11. 11. Petrochemicals (Bulk hydrocarbons, e.g. Xylenes)†</li></ul>† Under development<br />
  12. 12. Introduction<br />ChromWorksin Pharmais a dedicated modeling system for manufacturing chromatography processes in Pharmaceuticals. It covers following use-cases based on demands:<br /><ul><li>Process design (Triangle Theory)
  13. 13. Design parameter acquisition (ECP and Dynamic estimation)
  14. 14. Equilibrium
  15. 15. Mass transfer
  16. 16. Dispersion
  17. 17. Process simulation (SMB, VARICOL, Intermittent SMB)
  18. 18. Quality by Design analysis (Temperature/Solvent Gradients)</li></li></ul><li>Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  19. 19. Challenges in the Laboratory<br />Separation feasibility <br />Stationary phase evaluation and solvent screening<br />Data acquisition and analysis<br />Adsorption equilibrium<br />Sorption kinetics<br />Separation factors<br />Model-based parameter estimation<br />Equilibrium constants<br />Heat and mass transfer coefficients<br />Batch column tests<br />Pulse injection experiments<br />Frontal analysis<br />Anti-Langmuir behavior<br />
  20. 20. Challenges in the Conceptual Design<br />Process design<br />Number of columns<br />Zone configuration<br />Valve switching method<br />Equipment rating and model validation<br />Column size, packing and pressure drop constraint<br />Feed and product port arrangement<br />Plumbing (piping/tubing) and dead volumes<br />Process performance and productivity<br />Product purity and recovery<br />Solvent consumption<br />
  21. 21. Challenges in the Operation<br />Quality by Design (QbD)<br />Extra column dead volume<br />Non-homogeneous column set<br />Operation temperature<br />Solvent composition <br />Plant data tuning and alignment<br />Possible degradation in stationary phase<br />Impurity in feed and solvent<br />Operational safety<br />Revamp analysis<br />Design capacity adjustment<br />Column re-conditioning <br />Process start-up and shut-down operation<br />Source: www.ampacfinechemicals.com<br />
  22. 22. Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  23. 23. Differentiation! Differentiation! Differentiation!<br />Easiest-to-use interface among peer-class simulators<br />Software designed based upon extensive mentors provided by chromatography experts and process chemists (not by software engineers!) <br />No need to develop a simulation flow sheet  Fast simulation study<br />Software learning curve is very short (1-2 hours will be sufficient to get started)<br />Use highly robust solver based on Adaptive Moving Mesh to solve the first principle mathematical models<br />Wide range of equilibrium isotherm models<br />Interoperability with Microsoft Excel to allow various methodologies in automation and optimization<br />
  24. 24. { Adaptive Mesh Refinement as PDE method }<br />The ChromWorks solver uses the adaptive mesh refinement algorithm for spatial discretization in column model, and presents highly robust and accurate simulation. In ChromWorks, theadaptive mesh refinement is one of major differentiating features<br />Adaptive Mesh in 2-D<br />Moving PDE Mesh<br />In Chromatography<br />
  25. 25. { Equilibrium Models Supported in Version 1.0 }<br />Langmuir<br />Linear<br />Modified Langmuir<br />Generalized Langmuir<br />Bi-Langmuir<br />Ideal Adsorbed Solution Theory (IAST)<br />IAST + Langmuir<br />IAST + Modified Langmuir<br />IAST + Bi-Langmuir<br />IAST + Polynomial<br />All isotherm model can be temperature dependent for QbD study<br />
  26. 26. Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  27. 27. { SMB and VARICOL Process Models }<br />These are top-level assumptions used in the mathematical models of SMB and VARICOL process<br />Maximum 32 columns setup<br />Support conventional 4 zone SMB (synchronous stepping) <br />Support VARICOL process (asynchronous stepping) <br />“As is” modeling for non-homogeneous column set<br />“As is” modeling for extra column dead volumes, such as connecting tubing parts and column top/bottom voids<br />Possible extension to more complex operational configuration (e.g. Intermittent SMB, PowerFeed, ModiCon, so on)<br />
  28. 28. { Dead Volume Modeling }<br />ChromWorks uses "As is" approach to address the system dead volume in SMB and VARICOL process. The user can model extra-column dead volumes existing in the apparatus, and simulate it all together. Using this approach, the user could understand and quantify the impact of presence of dead volume and the location. The user will then be able to adjust operating condition to meet the design constraint and process performance. <br />
  29. 29. { Non-homogeneous Column Set }<br />ChromWorks uses "As is" approach to address a non-homogeneous column set on SMB and VARICOL process performance. The user can model the packing characteristics differently for each column. Using this approach, for example, the user could understand and quantify reductions in the purity of the product streams caused by the column-to-column fluctuations of the retention times of the mixtures arising from porosity differences. <br />
  30. 30. { Triangle Theory }<br />ChromWorks’s Triangle Theory provides explicit criteria for the choice of the operating conditions of SMB units to achieve the prescribed separation of a mixture characterized by various equilibrium isothermmodels.<br />
  31. 31. { ECP Isotherm Estimation }<br />In industry, the ECP (Elution by Characteristic Points) method is used extensively to obtain competitive equilibrium isotherm for enantiomers.<br />
  32. 32. { Dynamic Estimation }<br />Using the user interface that is designed for dynamic estimation, one can utilize real process model to extract design data (such as isotherm, mass transfer, and dispersion coefficients) from your experimental or plant measured data.<br />Before Estimation<br />After Estimation<br />
  33. 33. { Gradient Operations (QbD) }<br />ChromWorks has special functions to study the effects of temperature and solvent composition on the SMB process performance. The objective of the simulation capability of gradient operation is to investigate a possibility of improvement of separation resolution and also to execute a QbD (Quality by Design) analysis by simulate adsorption behavior at various operating conditions.<br />“Good” Gradient Sample<br />“Bad” Gradient Sample<br />
  34. 34. { Excel Interoperability }<br />You could use Microsoft Excel (2003, 2007 and 2010) to run ChromWorks SMB and Varicol models. It is possible by accessing the COM object of ChromWorks from Excel VBA. <br />
  35. 35. { Model Tuning to Fit Data }<br />ChromWorks provides a unique software interface that allows the user to fit the model with the measured data.<br />
  36. 36. { Chemicals Properties Library }<br />Chemical Properties Library presents various thermodynamic properties for over 1500 pure components.<br />Temperature dependent properties<br />Liquid Mass Density<br />Liquid Molar Density<br />Liquid Viscosity<br />Thermal Conductivity of the Liquid<br />Heat Capacity of Liquid<br />Saturated Vapor Pressure<br />Heat of Vaporization<br />Surface Tension<br />Rackett Liquid Molar Volume<br />Constant properties<br />Molecular weight, Normal boiling point, Acentric factor, Liquid molar volume at 298.15 K, Critical temperature, Critical pressure, Critical volume, Critical compressibility, Dipole moment, van der Waals reduced volume, van der Waals area, Refractive index, Auto ignition temperature<br />
  37. 37. Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  38. 38. Contents<br />Introduction<br />Challenges in Continuous Chromatography Process<br />ChromWorks for “Useful” Toolbox in Modeling and Simulation<br />The Software Features and Capabilities<br />Live Demonstration<br />YouTube Movies and Contact Information<br />
  39. 39. { 2-2-2-2 SMB Simulation }<br />
  40. 40. { 2-2-2-2, 2-3-2-1 VARICOL Simulation }<br />
  41. 41. { ChromWorks Simulation on Excel }<br />
  42. 42. { Non-Langmuirian Chromatogram }<br />
  43. 43. ChromWorks Movies in YouTube<br />SMB Simulation (GUI Demo) <br />http://youtu.be/HGovvG4RPbM<br />VARICOL Simulation (GUI Demo)<br />http://youtu.be/DkfzQ_PHZ8E?hd=1<br />Run Simulation on Excel<br />http://youtu.be/9jbYI60ZNjg?hd=1<br />Non-Langmuirian (Case M1) Batch Chromatography<br />http://youtu.be/aowo1JSWpZ4?hd=1<br />Non-Langmuirian (Case M2) Batch Chromatography<br />http://youtu.be/VDeJw76f8Cw?hd=1<br />Adaptive Mesh Refinement – Batch Chromatography<br />http://youtu.be/lCOUzCxxI10<br />
  44. 44. Contact Information<br />ChromWorks Website: www.chromworks.com<br />Support email: support@chromworks.com<br />YouTube Channel: www.youtube.com/user/chromworks<br />Feel free to contact us if you need a trial version or more information on the software<br />in Pharma<br />CHROMWORKS<br />Create a unique usefulness in continuous chromatography<br />Copyright © 2011 ChromWorks, Inc.<br />www.chromworks.com<br />

×