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Aspen, please input fluosilicic acid; seeking help

2021-10-28View Original

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I would like to ask everyone: how do I enter fluorsilicic acid in Aspen? The built-in structural formula shows an error
Reply #22021-10-29
Enter CAS: 16961-83-4
Reply #32021-10-29
I can add this in, but the displayed molecular structure is incorrect; subsequent attempts to calculate the binary parameters do not converge, and I’m not sure how to enter the correct molecular structure.
Reply #42021-10-30
This post was last edited by wxch99219 on 2021-10-30 04:54. Property methods are very important; they are selected based on the polarity relationships between components. The binary parameters can either be found in databases, determined through regression of experimental data, or estimated using group contributions – they cannot be calculated directly.

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