While the lignin/hemicellulose acetylation fractions are roughly right, there are other limitations inherent to the model. It is not computationally feasible to simulate intact biomass where the polymers are at their native lengths, which can be up to several thousand monomers long. What is practical in our models is for more modest polymer lengths, with up to 40 repeats along the long axis of the simulation. For lignin, this is likely fine, as the approximate molecular weights for lignin indicate that 20 monomers is a typical length in the Lignin Dataset and is modeled as such in the simulated cell wall model. Glycans are a different story in hardwoods, with degree of polymerization (DP) of ≈120 for xylan (hemicellulose) and ≈9300 for cellulose in secondary cell wall of poplar. The DP for the hemicellulose and cellulose are significantly lower in the simulated model based on what is feasible today. Given the high DP of native hemicellulose, hemicellulose chains may form condensates which occlude hydroxyl groups unexposed to the reagent, and may limit acetylation in real tissues compared with the full acetylation that is achievable in silico.