@inproceedings{01KJ51GN003AP1PVCP9NS80GY3,
  abstract     = {{Sol-gel chemistry offers powerful tools for engineering silica-based materials with tunable properties, including
organosilica nanofiber membranes that are essential for applications such as chemical sensing, solvent
separation, and electrochemical barriers. Despite their potential, the molecular factors that govern
electrospinnability remain insufficiently understood. In particular, the complex relationship between hydrolysis
kinetics, crosslinking dynamics, and rheological behavior often forces researchers to rely on empirical
trial-and-error methods. To address this challenge, we developed a predictive framework for
methyltriethoxysilane (MTES)-based sol-gel systems, establishing correlations between viscosity evolution and
key structural parameters, such as hydrolysis degree and the distribution of crosslinking functional groups.1 A
comparative analysis with tetraethoxysilane (TEOS), a more crosslinkable four-arm precursor, was also
conducted. Using ²⁹Si NMR spectroscopy and coupled matrix-based Monte Carlo (CMMC) modeling, we
extracted Arrhenius parameters for MTES hydrolysis and condensation, which were then applied under
non-isothermal conditions simulating electrospinning environments, including solvent evaporation. This allowed
us to extract molecular rules defining processing conditions that distinguish between no deposition,
electrospraying and electrospinning. To validate the model, we randomly selected three synthesis conditions
based on its predictions and tested them experimentally. Scanning electron microscopy (SEM) imaging
confirmed that the resulting morphologies matched the predicted electrospinnability outcomes, demonstrating
the reliability of the molecular rules derived from the model. By identifying molecular thresholds for successful
electrospinning, such as siloxane yields and group fractions, this predictive framework provides a rational
alternative to experimental trial-and-error, supporting the design of advanced organosilica membranes for
sustainable technologies.}},
  articleno    = {{TEMP103}},
  author       = {{Novello, Alice and Verschraegen, Sofie and De Clerck, Karen and D'hooge, Dagmar}},
  booktitle    = {{Annual Meeting of the Belgian Polymer Group 2025, book of abstracts}},
  language     = {{eng}},
  location     = {{Houffalize, Belgium}},
  pages        = {{1}},
  title        = {{Model-based molecular rules for electrospinning solutions to deliver well-defined organosilica membranes}},
  year         = {{2025}},
}