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Published on: June 13, 2018
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Interaction between N-Methylmorpholine N-Oxide, Water, and the Titanium Dioxide Surface in the Lyocell Process
Hong Jin1, Alex Kumi1, Yumei Zhang1
1State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering, Donghua University, Shanghai, P. R. China, 201620.
The Journal of Physical Chemistry. A
|October 13, 2020
Summary
N-methylmorpholine N-oxide (NMMO) and water interact with titanium dioxide (TiO2) surfaces, with NMMO enhancing TiO2 dispersion in lyocell solutions without compromising NMMO stability.
Area of Science:
- Materials Science
- Surface Chemistry
- Polymer Science
Background:
- Lyocell fiber production involves dissolving cellulose in N-methylmorpholine N-oxide (NMMO) solvent.
- Incorporating functional nanoparticles like titanium dioxide (TiO2) into lyocell requires understanding solvent-surface interactions.
Purpose of the Study:
- To investigate the molecular interactions between N-methylmorpholine N-oxide (NMMO), water, and titanium dioxide (TiO2) surfaces.
- To provide a theoretical basis for developing functional lyocell fibers containing TiO2 nanoparticles.
Main Methods:
- Spectral tests and molecular dynamics simulations were employed.
- Characterization of molecular structure, movement, arrangement, and interaction energies.
Main Results:
- Both water and NMMO interact with the TiO2 surface, with water exhibiting stronger adsorption.
- NMMO competes with water for adsorption sites on TiO2, forming stable adsorption layers at higher concentrations (>50%).
- NMMO promotes TiO2 dispersion and increases lyocell solution viscosity without NMMO decomposition.
Conclusions:
- N-methylmorpholine N-oxide (NMMO) effectively disperses titanium dioxide (TiO2) nanoparticles in lyocell solutions.
- The stability of NMMO is maintained during the process, enabling the preparation of functional lyocell fibers.
