ASPEN cannot be used to simulate the neutralization reaction of phosphate and sodium hydroxide solutions. . .
Thread Content
This post was last edited by Marshal Tianpeng on 2017-3-5 at 10:44; the ASPEN simulation cannot be used to calculate the neutralization reaction of phosphoric acid and sodium hydroxide solutions. . . I thought to myself that acid-base neutralization was no big deal. . . But an error occurs when using ASPEN for simulation, stating that the solid free energy of phosphoric acid is not available, so the reaction cannot be calculated! The method I use is naturally electrolytic; would I have to use a solid? I also tried to carry out property estimations, and I indeed found the property DGSFRM among the available estimation options. Although I entered the phosphate molecule structure manually, the estimation still failed. As a beginner, I don’t know how to conduct such estimations; could those who are more experienced tell me how they do it? Additionally, for a reaction as basic as acid-base neutralization, and considering that phosphate is a very well-known compound, why is this important parameter missing from the ASPEN database, preventing reactions from being calculated? Balance B-1 ****PROPERTY PARAMETER ERROR: The solid formation free energy (DGSFRM) is missing for the component “ORTHO(S)”. It is not possible to calculate the reaction constant. ! Calculations were stopped due to missing property parameters
1. First, check whether there are any issues with the reaction process, including the substances used and the reaction equations. 2. Examine the property parameters of your simulation file to determine what substance ortho corresponds to, and check whether the standard solid Gibbs free energy dgsfem is missing. 2. Once everything is confirmed, if this value is missing, estimate it and then enter the corresponding dgsferm value in the property parameters
It’s fixed now~ Thank you! It was my own carelessness; that wasn’t phosphoric acid, and the parameters were normal{:3_50:}
Hello, could you share your simulation process? Thank you
371915338@qq.com, thank you