Jeremy R. Garritano

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ChE 435Data for Design Projects

• Jeremy R. Garritano
• Chemistry Library
• jgarrita_at_purdue.edu /// 49-67279
• http//guides.lib.purdue.edu/che

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Data

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

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Summary of Todays Talk

• Two design problems
• One easy
• One difficult
• Important databases along the way
• Information Audit preparing for your planning
  meetings

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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.e
  du/libraries/chem/

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Design Problem 1
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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.

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• 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.

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Equilibrium Data

• Data collected in handbooks/data compilations
• Published data in research articles

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Handbooks/Data Compilations

• Book series from
• DECHEMA
• CHEM REF
• 541.363
• 1st floor, Chem Lib

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Data in Research Articles

• Suggested Databases
• SciFinder
• Ei Engineering Village
• Web of Science
• Google Scholar

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Modifying search strategies

• Gives 26 results
• Gives 16 results
• From Web of Science, http//purl.lib.purdue.edu/db
  /db257

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Experimental data
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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.

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Tray Efficiency Data

• Data collected in handbooks/data compilations
• Published data in research articles

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Tray Efficiency Data

• Consult Perrys Handbook online

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Perrys, continued
Also provides additional tips on obtaining tray
efficiencyexperiment, prediction, etc.
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Design Problem 2
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Chemical Reactor Design
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Reaction Kinetics Data

• Data collected in handbooks/data compilations
• Published data in research articles

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Handbooks/Data Compilations

• NIST Kinetics Database thermal gas-phase
  chemical reactions
• 11,700 distinct reactant pairs
• http//kinetics.nist.gov

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Handbooks/Data Compilations

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

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Data in Research Articles

• Suggested Databases
• SciFinder
• Ei Engineering Village
• Web of Science
• Google Scholar

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Review Article!
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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.

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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

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Information Audit
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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

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Chemicals/Compounds of Interest

• Table 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 Y N
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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/d
  b/db159

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Intellectual Property

• Patents
• http//guides.lib.purdue.edu/che
• Searching for Articles/Patents
• http//www.lib.purdue.edu//libraries/chem/subjectG
  uidepatent

Citing Your Sources

• http//guides.lib.purdue.edu/che
• Cite Your Sources

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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