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. 2020 Mar 9;12(3):627. doi: 10.3390/polym12030627
Ac Acetate
A⋯H-D hydrogen Acceptor atom⋯Hydrogen atom–hydrogen Donor atom
AMBER Assisted Model Building with Energy Refinement
AMIMCl 1-allyl-3-methylimidazolium chloride
C Carbon
Cx Carbon of location number x in the cellulose strand
CTx Carbon of location number x in the TBP molecule
Cl Chloride
DMF Dimethylformamide
DMSO Dimethylsulfoxide
EMIM 1-ethyl-3-methylimidazolium
GLYCAM06 Glycosylation-dependent Cell Adhesion Molecule 2006
H Hydrogen
Hx Hydrogen of location number x in the cellulose strand
HCx Hydrogen connected to CTx of the TBP molecule (x only ranges from 2 to 4)
HP Hydrogen connected to CT1 of the TBP molecule
Hw Hydrogen of water
IL Ionic Liquid
LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator
LJ Lennard-Jones
Li Lithium
MD Molecular Dynamics
Na Sodium
NPT Isobaric-isothermal
NVT Constant volume-isothermal
O Oxygen
Ox Oxygen of location number x in the cellulose strand
OH Hydroxide or hydroxyl group
Ow Oxygen of water
P Phosphorous
PPPM Particle-Particle Particle-Mesh
TBA Tetrabutylammonium
TBAH Tetrabutylammonium hydroxide
TBP Tetrabutylphosphonium
TBPCl Tetrabutylphosphonium chloride
TBPH Tetrabutylphosphonium hydroxide
TIP3P Three-Site Transferrable Intermolecular Potential
VDW Van der Waals
VMD Visual Molecular Dynamics