Jeremy R. GarritanoChemistry Library

jgarrita@purdue.edu /// 49-67279

http://guides.lib.purdue.edu/che

ChE 435:Data for Design Projects

DataAccepted/Standard Data

Experimental Data

Predicted/Computed Data

Summary of Today’s Talk

Two design problemsOne “easy”One “difficult”

Important databases along the way

Information Audit – preparing for your planning meetings

Suggested Web Page(s)/Resources

ChE Information Resources Pagehttp://guides.lib.purdue.edu/che

Chemical Properties Resource Guidehttp://guides.lib.purdue.edu/chemprop

Chemistry Library Web Sitehttp://www.lib.purdue.edu/libraries/chem/

Design Problem 1

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.

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.

Equilibrium DataData collected in handbooks/data

compilationsPublished data in research articles

Handbooks/Data CompilationsBook series fromDECHEMA

CHEM REF541.363

1st floor, Chem Lib

Data in Research Articles

Suggested Databases:SciFinderEi Engineering VillageWeb of ScienceGoogle Scholar

Modifying search strategies

Gives 26 results

Gives 16 results

From Web of Science, http://purl.lib.purdue.edu/db/db257

Experimental data

Other strategies to try:ethanol and “ethyl acetate” and “equilibrium data” 26 results

ethanol and “ethyl acetate” and “phase-equilibria” 45 resultsethanol 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.

Tray Efficiency DataData collected in handbooks/data

compilationsPublished data in research articles

Tray Efficiency DataConsult Perry’s Handbook [online]

Perry’s, continued

Also provides additional tips on obtaining tray efficiency…experiment, prediction, etc.

Design Problem 2

CHEMICAL REACTOR DESIGN

Reaction Kinetics DataData collected in handbooks/data

compilationsPublished data in research articles

Handbooks/Data Compilations

NIST Kinetics Database “thermal gas-phase chemical reactions”

11,700 distinct reactant pairs

http://kinetics.nist.gov

Handbooks/Data Compilations

IUPAC Gas Kinetic Data Databasehttp://www.iupac-

kinetic.ch.cam.ac.uk/

Print or PDF reports from NIST

Data in Research Articles

Suggested Databases:SciFinderEi Engineering VillageWeb of ScienceGoogle Scholar

Review Article!

Search Strategy - SciFinderResearch 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.

When there is no easy solution…Read the article/research

Follow additional leadsAuthors, citations, etc.

Confirm findings if necessary/possible

Modify your projectMethod, catalyst, etc.

Determine yourself by experiment

Information Audit

Overall Project Statement Restate the problem in your own words

Foundational Information Principles, theories, equationsHandbooks, textbooks, handoutshttp://guides.lib.purdue.edu/che

“Background Information”“Handbooks, Data and Properties”

Chemicals/Compounds of InterestTable of relevant compounds

http://guides.lib.purdue.edu/che“Background Information”“Handbooks, Data and Properties”

Chemical Name 

CAS Registry #

Properties Needed

Already have (Y/N)?

 Pyridine 

 110-86-1  BP (115oC)  Y

 Formaldehyde 

50-00-0  BP (-19 oC) Refractive index

YN

Best PracticesWhat have other people done to solve this

type of problem?Articles/Newshttp://guides.lib.purdue.edu/che

“Searching for Articles/Patents”Regulations and Standards Safety/Laws/Standardshttp://guides.lib.purdue.edu/che

“Chemical Process and Safety”IHS Standards Expert:

http://purl.lib.purdue.edu/db/db159

Intellectual PropertyPatentshttp://guides.lib.purdue.edu/che

“Searching for Articles/Patents”http://www.lib.purdue.edu//libraries/chem/

subjectGuide#patent

Citing Your Sourceshttp://guides.lib.purdue.edu/che

“Cite Your Sources”

SummaryUse 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