A simple question regarding binary interaction parameters; I hope experts can give some guidance!
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This post was last edited by holysong0 on 2016-9-30 14:03. I have a simple question: for the NRTL property equation, the binary interaction parameters for chlorofluoromethane (R31) and water are not available. I don’t want to use the UNIFAC model for estimation, so I would like to manually adjust the Aij and Aji values for these binary interactions. . . What does a positive Aij indicate, and what is its relationship to the high concentration of which substance in the gas phase? What does a negative Aij indicate? Is there any empirical, concrete way of thinking about parameters? What about Bij and Cij? Solve it – as long as any one of the questions can be answered, various gold coins will be given, and many thanks! A reward is guaranteed for your reply!
They are the parameters in the activity model, which are generally obtained through regression using vapor-liquid equilibrium experimental data; their positive or negative values usually don’t carry any special meaning. If you want to make manual changes, there must be a basis for it
They are the parameters in the activity model, which are generally obtained through regression using vapor-liquid equilibrium experimental data; their positive or negative values usually don’t carry any special meaning. If you want to make manual changes, there must be a basis for it
I make changes based on the data from the field; if the positive or negative values don’t matter, then it’s difficult to make adjustments. But if those values do matter, they can be adjusted. I think they do matter, only I’m not sure whether anyone has studied this in depth.
This post was last edited by Yu Xuanji on 2019-1-8 at 15:29. I am also studying this topic; it does have an impact on dissolution, but the relationship and coefficients are not linear. It’s very difficult to adjust it so that it matches the field data! It’s really hard to deal with.
Find his parameter model and refit it using the field data; it seems that estimation can be used for fitting. Of course, it can also be changed directly. I’m not very familiar with positive and negative.