How to find the properties of a substance that is not available in ASPEN?
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Recently, I encountered a catalyst used in a polypropylene plant whose molecular formula is (C4H9)2Si(OCH3)2. This substance is not available in ASPEN, and I want to use it in ASPEN as well. However, the information available online about its properties is incomplete. How can I find this substance in ASPEN? Additionally, I tried to add this substance to ASPEN, but I couldn’t enter all of the details – it’s too long; only C10H24O2S could be entered before further input became impossible! ! ! ! Some senior could give me some advice! ! :handshake
It’s not in the Aspen database; of course, it can’t be found if using Aspen. For components not available in the Aspen database, our approach is to estimate their physical properties. Regarding the catalyst you mentioned, I believe that although it participates in the reaction, it is not a reactant that gets consumed; moreover, only a small amount is required, and it can be replaced by other substances. For more details, you can refer to relevant literature on Aspen polymer simulation.
The role of a catalyst is often reflected in the reaction parameters, right?
For estimating physical properties, although accuracy cannot be guaranteed, it provides a general direction. When considering only the catalyst, it isn’t necessary to know its properties; in a reaction, its influence on the reaction can be indicated through the activation energy and pre-exponential factor
Use ChemWindow to write the molecular formula of this substance, save it as a .mol file, and import it into Aspen for property calculations; you can then perform the calculations by yourself
I think it’s possible to ignore the catalyst and simply input the reactants, the reaction equation, the rate constant, and other necessary parameters. Of course, for polymerization reactions, it is also necessary to choose the correct type of reaction – whether it is a radical reaction or some other type.
The last edit to this post was made by lantianke0918 on 2010-1-1 at 17:14. What I want to calculate is not the reaction catalyzed by this substance, but rather things related to the catalyst itself (such as the equipment used, simulation calculations, etc.), which have no connection to the reactions it catalyzes – 6# hu_di
Hello, do you mean the property estimation in Properties? ? I tried it, but the element names have to be entered in order; the molecular formulas are too long. Is this feasible? ! ! 4# laipi*ao*n
Hello, where in ASPEN can I import the property estimates? I’ve already prepared them, but I can’t find where to import them. 5# lx5599
I was also thinking of learning about *this area; please give me some guidance!