Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling

Table 3

Amorphous cell composed of 100 cellulose chains fixed (5 cellobiose units) and a varying number of water molecules.

Molecules	Loading	Weight%
Cellobiose	100	99.9
Water	1	1.0
Cellobiose	100	98.9
Water	100	1.1
Cellobiose	100	97.8
Water	200	2.2
Cellobiose	100	95.8
Water	400	4.2
Cellobiose	100	91.9
Water	800	8.1
Cellobiose	100	85.0
Water	1600	15.0
Cellobiose	100	74.0
Water	3200	26.0
Cellobiose	100	22.9
Water	6400	77.1