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How to enter the component “amino hydrochloride (R-NH2-HCl)” in ASPEN?

2009-02-22View Original

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Could someone please advise me on how to enter the component “amino hydrochloride (R-NH2-HCl)” in ASPEN? Thank you!
Reply #22009-02-25
You work with glyphosate, right? It seems familiar to me. This can only be achieved by introducing new substances, and the key is to properly outline the molecular structure in ChemDraw. Good luck! :victory:
Reply #32009-02-25
1. Select “user defined” under “Define Component”. 2. Enter the ID for the new component (you can choose any value); “For “type”, select “conventional” or “solid” (depending on the actual properties of the material) ; “Enter the molecular formula in “formula” ; Click “next”. 3. Now enter the physical property parameters of the new substance; fill in them if available, otherwise leave them blank ; Click “Next”. 4. Now enter the additional physical property parameters. Note that the molecular structure of the substance is defined here; select the first option, “Molecular Structure”, to begin defining it. Under “General”, define the connections between atoms – assign numbers to each atom on a draft sheet. For each pair of adjacent atoms, enter the atom’s number in “Atom1-Number”, select the type of atom in “Type”, and then choose the type of chemical bond in “Bond Type”. The rest of the poster is also in this industry, so they should be able to understand how to do it. These are just my humble opinions; if there are any mistakes, please feel free to point them out
Reply #42009-03-12
Thanks for the advice from the brother on floor 3! In the case of amino hydrochloride, there is no chemical bond between the amino group and HCl; instead, it is held together through coordination, so it cannot be entered

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