Regarding the setting of binary interaction parameters
Thread Content
Today, for calculating a two-component solution system (butenediol + H2O), the NRTL calculation model was used; the binary interaction parameters were looked up in the parameter section, but all of them were blank. However, the T-X (Y) phase diagram can be calculated using analytical tools. Is the phase diagram obtained in this way reliable? The parameters for general binary interactions are obtained through regression of experimental data. The Aspen database is very powerful, so why is it still the case that some data is missing? What is even more suspicious is why the TXY phase diagram can still be calculated in the absence of a binary interaction parameter I’m not very familiar with this area; I hope to get guidance from experts and also engage in discussions with like-minded people. Thank you!
Without data comparison, it’s impossible to determine reliability. If an estimate is reliable, all experiments can be omitted.
Chinese name: 1,4-Butenediol? Chinese alias: 1,4-Dihydroxy-2-butene English name: 2-Butene-1,4-diol English alias: Butene-1,4-diol CAS number: 110-64-5 Molecular formula: C4H8O2 Molecular weight: 88.11
It can be estimated using Unifac, and it is relatively reliable
Thank you very much for your reply! I wonder why phase diagrams can be calculated without binary interaction parameters
It seems like you’re pretty amazing! Why can phase diagrams be calculated without binary interaction parameters?