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.
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.

