![]() #Chem webook plusTo be consistent with previous work (see Searchable List of Aspen Plus Components) the following information is linked: Even for existing web APIs, they often restrict their usage (requiring you to work around their limitations). Simplified Molecular-Input Line-Entry System (SMILES) strings were obtained using the Chemical Identifier Resolver tool from the CADD Group at the Frederick National Laboratory for Cancer Research, which were used to generate the URL to Cheméo for a chemical similarity search.ChemSpider Identifiers (CSID) are linked to the pure component summary pages at ChemSpider.CAS Registry Numbers (CAS-RN) are linked to the pure component summary pages at NIST Chemistry WebBook (the free version).DDB component numbers are linked to the pure component summary pages at DDBST GmbH, which can also direct you to a summary-list of all available mixture properties for the selected component. Since the basis for the Antoine coefficients in Yaw’s Handbook is not very clear, I also only display coefficients where I can compare the calculated normal boiling point using these coefficients (TBCAL) to some other known source: DDB, NIST or Joback. If DDB, the value is calcualted using the Antoine coefficients available in the Dortumund Data Bank (2009 edition). If NIST, the TB value is an average of all the values listed in the public version of the NIST Chemical WebBook at the time of calculation. If Joback, the value is estimated using the Joback/Reid method. ![]()
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