I am trying to simulate ethylene dimerization reactor (CSTR) in which Ethylene (in gas form) will be feed to a liquid phase reactor (operating at 50-53 deg.C temperature and 23 Bar(g) via sparger system pressure) to produce but-1-ene. The catalyst contains Ti(OC4H9)3 + triethyl aluminium (TEA) +...
I want to learn DFT, I love Julia, and would like to learn DFT by doing, so I am looking for a package in a decent language with good documentation. Any tips? submitted by /u/t-cell-baum [link] [comments]
