DWSIM - Unavailability of compounds in Database

Unavailability of compounds in Database

Hello,

Myself and two other students are working on "Process Development of Para tertiary butyl phenol from Phenol, Chlorination of acetic acid and Hydroquinone from Phenol"

We wanted to use DWSIM for simulating our processes but we couldn't find the following compounds therein.

S.No	Compound	IUPAC Name	CAS No.
1	Para tertiary butyl phenol	4-tert-butylphenol	98-54-4
2	Ortho tertiary butyl phenol	2-tert-butylphenol	88-18-6
3	Di tertiary butyl phenol	2,4-Di-tert-butylphenol	96-76-4
4	Tri tertiary butyl phenol	2,4,6-tri-tert-butylphenol	732-26-3
5	Di chloro acetic acid	2,2-dichloroacetic acid	79-43-6
6	Mono chloro acetic acid	2-chloroacetic acid	79-11-8
7	Hydroquinone	Benzene-1,4-diol	123-31-9
8	Catechol	Benzene-1,2-diol	120-80-9
9	Hydrogen Peroxide	Hydrogen Peroxide	7722-84-1

Kindly suggest a solution for the same.

Thanks

Aravind Y.K.

DWSIM 24-12-15, 7:44 p.m. Y.K.Aravind

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Hi Aravind,

Unfortunately these compounds are not available in the databases supported by DWSIM. You will have to create these compounds by using the Compound Creator Study, facility available in DWSIM. You will have to provide various physical properties of the new compound which you want to add. You can get these properties from literature.

Regards,

Rahul Jain.

25-12-15, 10:33 a.m. Rahul_Jain

Hi Rahul,
I have faced the similar problem. Can we think of adding more data base in upcoming version (or latest version)? I may like to contribute in this direction as well.

26-02-16, 9:15 p.m. Parul_sahu2

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