Jeremy R. Garritano Chemistry Library /// ChE 435: Data for Design Projects

Data Accepted/Standard Data Experimental Data Predicted/Computed Data

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

Suggested Web Page(s)/Resources ChE Information Resources Page Chemical Properties Resource Guide Chemistry Library Web Site

Design Problem 1

D ESIGN OF AN E THANOL P URIFICATION S YSTEM 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.

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

Handbooks/Data Compilations Book series from DECHEMA CHEM REF st floor, Chem Lib

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

Modifying search strategies Gives 26 results Gives 16 results From Web of Science,

Experimental data

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.

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

Tray Efficiency Data Consult Perry’s Handbook [online]

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

Design Problem 2

C HEMICAL R EACTOR D ESIGN

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

Handbooks/Data Compilations NIST Kinetics Database “thermal gas-phase chemical reactions” 11,700 distinct reactant pairs

Handbooks/Data Compilations IUPAC Gas Kinetic Data Database Print or PDF reports from NIST

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

Review Article!

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.

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

Information Audit

Overall Project Statement Restate the problem in your own words Foundational Information Principles, theories, equations Handbooks, textbooks, handouts “Background Information” “Handbooks, Data and Properties”

Chemicals/Compounds of Interest Table of relevant compounds “Background Information” “Handbooks, Data and Properties” Chemical Name CAS Registry #Properties Needed Already have (Y/N)? Pyridine BP (115 o C) Y Formaldehyde BP (-19 o C) Refractive index YNYN

Best Practices What have other people done to solve this type of problem? Articles/News “Searching for Articles/Patents” Regulations and Standards Safety/Laws/Standards “Chemical Process and Safety” IHS Standards Expert:

Intellectual Property Patents “Searching for Articles/Patents” Citing Your Sources “Cite Your Sources”

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