ChE 435: Data for Design Projects

1. ChE 435:Data for Design Projects Jeremy R. Garritano Chemistry Library jgarrita@purdue.edu /// 49-67279 http://guides.lib.purdue.edu/che

2. Data • Accepted/Standard Data • Experimental Data • Predicted/Computed Data

3. Summary of Today’s Talk • Two design problems • One “easy” • One “difficult” • Important databases along the way • Information Audit – preparing for your planning meetings

4. Suggested Web Page(s)/Resources ChE Information Resources Page http://guides.lib.purdue.edu/che Chemical Properties Resource Guide http://guides.lib.purdue.edu/chemprop Chemistry Library Web Site http://www.lib.purdue.edu/libraries/chem/

5. Design Problem 1

6. Design of an Ethanol Purification System  Your team has been contracted by a small chemical company located in northern Indiana to design a system to remove 98% of a contaminant ethyl acetate from a process stream. The process stream flow rate is 35 m3/hr and contains 4.5% ethyl acetate. It has been suggested that a vacuum sieve-tray column operating at 0.65 bar would be an economical choice. In order to evaluate the viability of the proposed system, equilibrium data for the ethanol/ethyl acetate system and sieve tray efficiency data are required.

7. In order to evaluate the viability of the proposed system, equilibrium data for the ethanol/ethyl acetate system and sieve tray efficiency data are required.

8. Equilibrium Data • Data collected in handbooks/data compilations • Published data in research articles

9. Handbooks/Data Compilations Book series from DECHEMA CHEM REF 541.363 1st floor, Chem Lib

11. Data in Research Articles • Suggested Databases: • SciFinder • Ei Engineering Village • Web of Science • Google Scholar

12. Modifying search strategies Gives 26 results Gives 16 results From Web of Science, http://purl.lib.purdue.edu/db/db257

13. Experimental data

15. Other strategies to try: ethanol and “ethyl acetate” and “equilibrium data” 26 results ethanol and “ethyl acetate” and “phase-equilibria” 45 results ethanol and “ethyl acetate” and “phase-equilibri*” 56 results ethanol and “ethyl acetate” and “equilibrium stud*” 1 result ethanol and “ethyl acetate” and equilibrium 210 results And more: VLE, vapor-liquid, “ethyl ethanoate”, EtOAC, etc.

16. Tray Efficiency Data • Data collected in handbooks/data compilations • Published data in research articles

17. Tray Efficiency Data • Consult Perry’s Handbook [online]

18. Perry’s, continued Also provides additional tips on obtaining tray efficiency…experiment, prediction, etc.

19. Design Problem 2

20. Chemical Reactor Design

21. Reaction Kinetics Data • Data collected in handbooks/data compilations • Published data in research articles

22. Handbooks/Data Compilations NIST Kinetics Database “thermal gas-phase chemical reactions” 11,700 distinct reactant pairs http://kinetics.nist.gov

23. Handbooks/Data Compilations IUPAC Gas Kinetic Data Database http://www.iupac-kinetic.ch.cam.ac.uk/ Print or PDF reports from NIST

24. Data in Research Articles • Suggested Databases: • SciFinder • Ei Engineering Village • Web of Science • Google Scholar

28. Review Article!

30. Search Strategy - SciFinder • Research topic search “reaction kinetics of o-xylene to phthalic anhydride” • Take 17 hits and limit to additional topic of “plug.” • View that first Calderbank article; some data available. • Go back and limit original 17 by “maleic.” • One readable article in English; view. Note discrepancy, follow to additional article from bibliography. • Go back and limit original 17 by review articles only. • One in English; view for tables that compile data for various catalysts.

31. When there is no easy solution… • Read the article/research • Follow additional leads • Authors, citations, etc. • Confirm findings if necessary/possible • Modify your project • Method, catalyst, etc. • Determine yourself by experiment

32. Information Audit

34. Overall Project Statement • Restate the problem in your own words Foundational Information • Principles, theories, equations • Handbooks, textbooks, handouts • http://guides.lib.purdue.edu/che • “Background Information” • “Handbooks, Data and Properties”

35. Chemicals/Compounds of Interest • Table of relevant compounds • http://guides.lib.purdue.edu/che • “Background Information” • “Handbooks, Data and Properties”

36. Best Practices • What have other people done to solve this type of problem? • Articles/News • http://guides.lib.purdue.edu/che • “Searching for Articles/Patents” Regulations and Standards • Safety/Laws/Standards • http://guides.lib.purdue.edu/che • “Chemical Process and Safety” • IHS Standards Expert: http://purl.lib.purdue.edu/db/db159

37. Intellectual Property • Patents • http://guides.lib.purdue.edu/che • “Searching for Articles/Patents” • http://www.lib.purdue.edu//libraries/chem/subjectGuide#patent Citing Your Sources • http://guides.lib.purdue.edu/che • “Cite Your Sources”

38. Summary • Use print and online resources • Consider compiled data in handbooks AND experimental data reported in research (journals, patents, etc.) • Look for possible next steps when stuck • [When things get difficult,] take notes of what you have already done, especially for sharing with your team • All else fails, contact me or your instructor