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Hi :)
I read your article https://doi.org/10.1021/acsami.1c20583 . Cool research! SI comes with a link to this repository. Could you please tell me how to use your scripts to predict flexible MOF? As…
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When executing vhab.exec('examples.CDRA.setup'), the simulation gets stuck in an oscilation after 8800 ticks in the multibranch solver due to the adsorption P2Ps of CDRA oscillating between desorption…
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Dear Shankar,
I attempted to calculate the adsorption energy using both VASP and JDFTx separately. The calculation process is as follows:
Fads = F( NO* ) – F( * ) – F( NO ) = -435.2356455 – (-40…
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I have used VASP before to calculate the adsorption energy of small molecules on solid surfaces, which are modelled using a slab model. In vasp I used pbe functional, paw pseudopotential, and the cut …
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- [ ] Adsorption auxiliary wire
- [ ] Copy and paste
- [ ] Context menu
- [ ] Collision detection
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Hello, I am building a process to produce biodiesel from hydrocracking heavy oil (obtained by hydrothermal liquefaction treatment of kitchen waste), which requires ```pressure swing adsorption (PSA)…
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Find out what is happening with the vertical lines in the adsorption model
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Hi,
We're working on a langmuir isotherm for our adsorption model for fluoride. We just wanted to ask you about the general mechanism for how PACl binds to/adsorbs other molecules and if you could te…
tm545 updated
6 years ago
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Hi!
Which units should I use to work with equilibrium data from liquid systems?
Using loadings in mmol/m3 and the bulk fluid phase concentration in mmol/m3 is enough to hold IAST for liquid syst…
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Can you support auxiliary line adsorption and other functions