Several works available in the literature have addressed regression models for the prediction of mass yields and elemental composition of the bio-oil/biocrude produced from biomass thermochemical liquefaction (i.e. pyrolysis and HTL), based on its biochemical composition. However, I haven't been able to find any work going further and predicting the relative amount of representative families of compounds (e.g. alcohols, carboxylic acids, phenols, etc.) in the bio-oil/biocrude.
A couple of works (Article Development of an automated method for modelling of bio-crud...
,Article Modeling of thermochemically liquefied biomass products and ...
) have proposed computational algorithms for the chemical characterization of bio-oils/biocrudes by using a reduced number of compunds but, in the end, they rely on experimental data such as biocrude GC-MS/Simulated Distillation.My idea, obviously, is not to get a detailed composition profile, but at least to be able to describe how biomass composition and process operating conditions affect the relative amount of maybe 10 to 15 representative compunds.
I would appreciate any ideas on the topic.
Best regards