ComPlat / chemotion_ELN

Electronic Lab Notebook
https://www.chemotion.net
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Enabling the mass of solvents #1953

Open martin-held-hereon opened 1 month ago

martin-held-hereon commented 1 month ago

Description

Often our polymer solutions are prepared in wt% (m_polymer / m_solvent) rather than mol/L (n_polymer / V_solvent). The entry for polymer can already be switched between mass (m) and amount of substance (n).

Hence, it would be nice to be able to enter the solvents' mass (m) besides the currently available volume (V). The density is known from the Pubchem database anyways. This would greatly benefit people doing reactions on a technical scale (>10kg).

I know this is hard-coded and more of a long-term task, but maybe the hard-code needs to be touched up in the future anyways.

Image

I mean this field, which support only volume at the moment:

rxn_solvent

baolanlequang commented 1 month ago

Hi @martin-held-hereon , we marked it as a feature and will discuss it.

PiTrem commented 3 weeks ago

Hello @martin-held-hereon,

just to clarify: it is currently possible to enter the quantity as mass, but, as you noted, not directly via the reaction scheme. You would have to open the solvent sample view and enter mass and density there.

A solvent sample is a sample, so we could have an option to display a solvent line the same way as a starting-mat.

Unfortunately, I can't say that this will happen soon. Please ping us again in some time if it is a must-have.

martin-held-hereon commented 3 weeks ago

Hi Pierre, Thanks for the info that the entered mass, when opening the solvent as a sample, is actually converted into a volume in the rxn scheme. I never realized that! I should have hovered the little info "i" :-)

For the future, I would suggest to display a solvent's mass and amount of substance in the rxn scheme, but not making it completely equivalent to the starting material. The current solvent-specific functions of "DS", "label" and "Vol ratio" are great!

Moreover. it would be great to add wt% to the automated concentration calculation, which is set to mol/L at the moment.