06 January 2021 2 3K Report

I am working on a project of H2O2 production and have to do an Aspen simulation of the H2O2 production plant. I am facing an issue during the oxidation reaction of EHAQ which reacts with O2 and gives H2O2 along with EAQ. Any suggestion might help me solve this problem. Will be helpful for me.

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fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

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When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

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