CHE 200 INFORMATION RESOURCES LIBRARY PRESENTATION

Transcription

1 CHE 200 INFORMATION RESOURCES LIBRARY PRESENTATION November 5, 2014

2 INTRODUCTION & AGENDA

3 DAVE ZWICKY CHEMICAL INFORMATION SPECIALIST Chemistry & Chemical Engineering Librarian Background BS (CHE), Wisconsin MS (CHE), Illinois MA (LIS), Wisconsin Contact information Wetherill 3

4 TODAY S CLASS OVERVIEW Research Guide Chemical Engineering Information Resources Finding background info and property data Encyclopedias Handbooks Databases Safety 4

5 CHE RESEARCH GUIDE LIBRARY GUIDE Links to everything we will discuss in class Proxy access to proprietary websites (authenticate with your Purdue credentials) Chemical safety information 5

6 FINDING BACKGROUND INFORMATION

7 ENCYCLOPEDIAS ONLINE Specialized encyclopedias for terms and concepts you are unfamiliar with or want a refresher Kirk-Othmer Encyclopedia of Chemical Technology Ullmann's Encyclopedia of Industrial Chemistry Good for finding flow charts and process diagrams for chemicals and commodities Online, searchable 7

8 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY 8

9 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY 9

10 ENCYCLOPEDIAS KIRK-OTHMER ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY 10

11 HANDBOOKS CRCNETBASE Published by CRC Press Albright's Chemical Engineering Handbook Encyclopedia of Chemical Processing Encyclopedic Dictionary of Named Processes in Chemical Technology Dekker Encyclopedia of Nanoscience and Nanotechnology 11

12 HANDBOOKS ALBRIGHT S CHEMICAL ENGINEERING HANDBOOK 12

13 HANDBOOKS ENCYCLOPEDIA OF CHEMICAL PROCESSING 13

14 HANDBOOKS ENCYCLOPEDIC DICTIONARY OF NAMED PROCESSES IN CHEMICAL TECHNOLOGY 14

15 HANDBOOKS DEKKER ENCYCLOPEDIA OF NANOSCIENCE & NANOTECHNOLOGY 15

16 HANDBOOKS PERRY S CHEMICAL ENGINEERS HANDBOOK The most important single reference book for chemical engineers Print (Chemistry and Engineering libraries) Online (two versions) 16

17 FINDING DATA SOURCES

18 DATA HOW DO YOU DESCRIBE A COMPOUND? Description Chemical name Common name Molecular formula Empirical formula Structure Example Ethanol Alcohol, ethyl alcohol C 2 H 6 O H 3 C CH 2 OH CAS Registry Number SMILES Code CAS# CCO OH 18

19 DATA SEARCHING Drawing: Name: 1,2-dichloro-1,2-dineopentyloxyethane Registry:

20 DATA REGISTRY NUMBERS CAS Registry Numbers Provided by Chemical Abstracts Service (SciFinder) Unique identifier for each chemical in literature Ten digits, no chemical significance SMILES Simplified Molecular-Input Line-Entry System INCHI IUPAC International Chemical Identifier 20

21 DATA TYPES OF DATA Accepted/Standard Experimental Predicted/Computed 21

22 DATA DATA SOURCES Handbooks CRC Handbook Online Perry s Knovel Databases NIST ChemSpider 22

23 DATA CRC HANDBOOK OF CHEMISTRY & PHYSICS 23

24 DATA CRC HANDBOOK OF CHEMISTRY & PHYSICS Ethanol ( ) 24

25 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS Hundreds of digitized handbooks and engineering reference works (PDF) Some titles have data tools built into their figures and tables Sortable/filterable tables, graph plotters, equation solvers, on-the-fly unit conversion Interactive material/chemical property searching 25

26 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS 26

27 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS 27

28 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS 28

29 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS Search: formaldehyde ( ) and density 29

30 DATA KNOVEL SCIENTIFIC & ENGINEERING HANDBOOKS 30

31 DATA NATIONAL INSTITUTES OF STANDARDS & TECHNOLOGY NIST Chemistry WebBook webbook.nist.gov NIST Kinetics Database kinetics.nist.gov Basic interface, but excellent source for property data, kinetic data, and spectra 31

32 DATA CHEMSPIDER chemspider.com Owned by the Royal Society of Chemistry Free chemical structure and property data Users submit, comment on, and edit data Curators approve and validate added content 32

33 DATA MSDS Material Safety Data Sheets (MSDS) Lab safety tool Contains: Names & identifiers Physical properties Hazards Toxicity Safety and handling 33

34 EXAMPLE: BOILING POINT OF PYRIDINE

35 EXAMPLE PYRIDINE 35

36 PROBLEM: UNKNOWN SUBSTANCE

37 PROBLEM UNKNOWN SUBSTANCE You have found that your organic unknown has the molecular formula C 12 H 16 O. You would like a list of the possible substances with that formula, preferably with some physical properties, so you can figure out what it is. Where should you look? 37

38 PROBLEM UNKNOWN SUBSTANCE How do these options compare? Wikipedia Wolfram Alpha ChemSpider CRC Handbook Knovel NIST 38

39 PROBLEM WIKIPEDIA 39

40 PROBLEM WOLFRAM ALPHA 40

41 PROBLEM CHEMSPIDER 41

42 PROBLEM CRC HANDBOOK OF CHEMISTRY & PHYSICS 42

43 PROBLEM KNOVEL 43

44 PROBLEM NIST 44

45 WRAPPING UP

46 WRAPPING UP SUMMARY Finding background information with encyclopedias and handbooks Kirk-Othmer, CRCnetBASE, Perry s Handbook Finding data with handbooks and databases Knovel, CRC, ChemSpider, NIST, MSDS Choosing the right source LibGuide: guides.lib.purdue.edu/che Chemical Information Specialist 46

47 DAVE ZWICKY CHEMICAL INFORMATION SPECIALIST I can help with: Using library resources Finding information ChemBioDraw Data management Citation management Patents Contact information dzwicky@purdue.edu Wetherill 47