longemen3000 / LavoisierCore.jl

Abstract Definitions and Functions to establish a thermodynamic library in julia
MIT License
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Add (rough) Yaws data #5

Closed doomphoenix-qxz closed 5 years ago

doomphoenix-qxz commented 5 years ago

So I got university access to an old edition of Yaws physical and Chemical Properties. I ran optical character recognition on it and extracted the important chapters, and this is the result.

It's not quite ready for prime time because there are a lot of errors in it, in the sense that the OCR didn't get quite 100% accuracy. But I figured I could upload the files now and we could work on cleaning them later. Once finished, we'll have good property data including everything necessary for the various cubic equations of state, for about 2000 organic compounds and 350 ish inorganic compounds.

doomphoenix-qxz commented 5 years ago

There's also a Python script I wrote that does some initial cleaning. It could still use a bit of work but it will help I think. I have the vague idea to manually go over the full list with the name and CAS registry number of each compound and make sure it's correct, which will take some time, but then once that's done, the data from each chapter could be matched to each compound by name using fuzzy matching. Then it could all be combined into one large database.