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Potassium Nitrate Crystallization on Cellulose Surfaces During Water Evaporation

Xiangyu Li
Biosystems Engineering, University of Tennessee

This project uses molecular dynamics simulations to study aqueous potassium nitrate near a cellulose surface during water evaporation. The visualizations below show the evolution of the COONa- modified Cellulose--KNO3 interfacial system from an initially dispersed ionic distribution to pronounced ion clustering near the cellulose surface.

Interactive Structure

Structure 1. Interactive visualization of the COONa-modified Cellulose--KNO3 interfacial system. Water molecules are hidden for clarity.

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Color legend: NO3- Cellulose backbone COO- Na+ K+
Frame: 1

Movie 1. Molecular dynamics simulation of the COONa-modified Cellulose--KNO3 interfacial system during water evaporation.

Simulation Conditions: LAMMPS, NVT ensemble, 300 K, 1 fs time step, 1,500,000 time steps.

References

To be published

posted: May 2026.
updated: May 2026.

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Simulation Conditions: LAMMPS, NVT ensemble, 300 K, 1 fs time step, 1,500,000 time steps.

References

To be published

posted: May 2026.
updated: May 2026.

Return to Top