Chrom works introduction

2. Contents Introduction Challenges in Continuous Chromatography Process ChromWorks for “Useful” Toolbox in Modeling and Simulation The Software Features and Capabilities Live Demonstration YouTube Movies and Contact Information

4. VARICOL

5. Intermittent SMB

6. Bio-chromatography†

7. Refining SMB (Parex, Eluxyl)†

8. Batch elution/gradient chromatography† Under development

10. Bio-Pharmaceuticals (Large molecules, e.g. Proteins)†

11. Petrochemicals (Bulk hydrocarbons, e.g. Xylenes)†† Under development

13. Design parameter acquisition (ECP and Dynamic estimation)

14. Equilibrium

15. Mass transfer

16. Dispersion

17. Process simulation (SMB, VARICOL, Intermittent SMB)

19. Challenges in the Laboratory Separation feasibility Stationary phase evaluation and solvent screening Data acquisition and analysis Adsorption equilibrium Sorption kinetics Separation factors Model-based parameter estimation Equilibrium constants Heat and mass transfer coefficients Batch column tests Pulse injection experiments Frontal analysis Anti-Langmuir behavior

20. Challenges in the Conceptual Design Process design Number of columns Zone configuration Valve switching method Equipment rating and model validation Column size, packing and pressure drop constraint Feed and product port arrangement Plumbing (piping/tubing) and dead volumes Process performance and productivity Product purity and recovery Solvent consumption

21. Challenges in the Operation Quality by Design (QbD) Extra column dead volume Non-homogeneous column set Operation temperature Solvent composition Plant data tuning and alignment Possible degradation in stationary phase Impurity in feed and solvent Operational safety Revamp analysis Design capacity adjustment Column re-conditioning Process start-up and shut-down operation Source: www.ampacfinechemicals.com

23. Differentiation! Differentiation! Differentiation! Easiest-to-use interface among peer-class simulators Software designed based upon extensive mentors provided by chromatography experts and process chemists (not by software engineers!) No need to develop a simulation flow sheet  Fast simulation study Software learning curve is very short (1-2 hours will be sufficient to get started) Use highly robust solver based on Adaptive Moving Mesh to solve the first principle mathematical models Wide range of equilibrium isotherm models Interoperability with Microsoft Excel to allow various methodologies in automation and optimization

24. { Adaptive Mesh Refinement as PDE method } 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 Adaptive Mesh in 2-D Moving PDE Mesh In Chromatography

25. { Equilibrium Models Supported in Version 1.0 } Langmuir Linear Modified Langmuir Generalized Langmuir Bi-Langmuir Ideal Adsorbed Solution Theory (IAST) IAST + Langmuir IAST + Modified Langmuir IAST + Bi-Langmuir IAST + Polynomial All isotherm model can be temperature dependent for QbD study

27. { SMB and VARICOL Process Models } These are top-level assumptions used in the mathematical models of SMB and VARICOL process Maximum 32 columns setup Support conventional 4 zone SMB (synchronous stepping) Support VARICOL process (asynchronous stepping) “As is” modeling for non-homogeneous column set “As is” modeling for extra column dead volumes, such as connecting tubing parts and column top/bottom voids Possible extension to more complex operational configuration (e.g. Intermittent SMB, PowerFeed, ModiCon, so on)

28. { Dead Volume Modeling } 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.

29. { Non-homogeneous Column Set } 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.

30. { Triangle Theory } 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.

31. { ECP Isotherm Estimation } In industry, the ECP (Elution by Characteristic Points) method is used extensively to obtain competitive equilibrium isotherm for enantiomers.

32. { Dynamic Estimation } 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. Before Estimation After Estimation

33. { Gradient Operations (QbD) } 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. “Good” Gradient Sample “Bad” Gradient Sample

34. { Excel Interoperability } 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.

35. { Model Tuning to Fit Data } ChromWorks provides a unique software interface that allows the user to fit the model with the measured data.

36. { Chemicals Properties Library } Chemical Properties Library presents various thermodynamic properties for over 1500 pure components. Temperature dependent properties Liquid Mass Density Liquid Molar Density Liquid Viscosity Thermal Conductivity of the Liquid Heat Capacity of Liquid Saturated Vapor Pressure Heat of Vaporization Surface Tension Rackett Liquid Molar Volume Constant properties 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

39. { 2-2-2-2 SMB Simulation }

40. { 2-2-2-2, 2-3-2-1 VARICOL Simulation }

41. { ChromWorks Simulation on Excel }

42. { Non-Langmuirian Chromatogram }

43. ChromWorks Movies in YouTube SMB Simulation (GUI Demo) http://youtu.be/HGovvG4RPbM VARICOL Simulation (GUI Demo) http://youtu.be/DkfzQ_PHZ8E?hd=1 Run Simulation on Excel http://youtu.be/9jbYI60ZNjg?hd=1 Non-Langmuirian (Case M1) Batch Chromatography http://youtu.be/aowo1JSWpZ4?hd=1 Non-Langmuirian (Case M2) Batch Chromatography http://youtu.be/VDeJw76f8Cw?hd=1 Adaptive Mesh Refinement – Batch Chromatography http://youtu.be/lCOUzCxxI10

44. Contact Information ChromWorks Website: www.chromworks.com Support email: support@chromworks.com YouTube Channel: www.youtube.com/user/chromworks Feel free to contact us if you need a trial version or more information on the software in Pharma CHROMWORKS Create a unique usefulness in continuous chromatography Copyright © 2011 ChromWorks, Inc. www.chromworks.com

Chrom works introduction

Empfohlen

Empfohlen

Weitere ähnliche Inhalte

Andere mochten auch

Andere mochten auch (12)

Ähnlich wie Chrom works introduction

Ähnlich wie Chrom works introduction (20)

Chrom works introduction