Langmuir 1997, 13, 7305
7305
Interface between Monoclinic Crystalline Cellulose and Water: Breakdown of the Odd/Even Duplicity Andreas P. Heiner* and Olle Teleman Langmuir 1997, 13, 511-518. Page 511. Some values for the camber of glucose moieties are interchanged in Table 1. The correct values are listed below.
layer
orientation
even molecules
odd molecules
I I II II III III
C6-inward C6-outward C6-inward C6-outward C6-inward C6-outward
-7.7 -8.9 -8.0 -7.4 -7.2 -7.0
0.5 7.5 1.3 1.3 0.6 0.4
In Figure 2, bold and thin curves represent the odd and even subphases rather than vice versa. The intramolecular bonded energies reported in Table 5 are erroneous. The correct values are listed below:
energy contribution
I/ odd
I/ even
II/ odd
II/ even
III/ odd
III/ even
intramolecular, bonded 131.5 126.0 130.1 128.2 127.3 118.8 bond angles 50.6 45.0 49.2 46.9 46.1 40.6 torsion angles 73.3 74.9 74.7 75.9 73.5 73.3 improper torsions 7.6 6.1 6.2 5.4 7.7 5.0 l l l l l l total potential energy 330.7 322.5 302.0 299.0 299.7 290.8 l l l l l l
This affects the values in the first and last rows of Table 8 to a minor extent. Corrected values are listed below.
cellulose solvent total
∆H (kJ/nm2)
-T∆S (kJ/nm2)
∆G (kJ/nm2)
+49.9 -32.3 17.6
>-14.9 +19.6 >+4.7
>+35.0 -12.7 >+22.3
The alterations do not affect the conclusions of the paper. LA970966X
S0743-7463(97)00966-9 CCC: $14.00
© 1997 American Chemical Society
