TY - JOUR
T1 - Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation
AU - Petridis, Loukas
AU - Pingali, Sai Venkatesh
AU - Urban, Volker
AU - Heller, William T.
AU - O'Neill, Hugh M.
AU - Foston, Marcus
AU - Ragauskas, Arthur
AU - Smith, Jeremy C.
PY - 2011/6/15
Y1 - 2011/6/15
N2 - Lignin, a major polymeric component of plant cell walls, forms aggregates in vivo and poses a barrier to cellulosic ethanol production. Here, neutron scattering experiments and molecular dynamics simulations reveal that lignin aggregates are characterized by a surface fractal dimension that is invariant under change of scale from ∼1-1000 A. The simulations also reveal extensive water penetration of the aggregates and heterogeneous chain dynamics corresponding to a rigid core with a fluid surface.
AB - Lignin, a major polymeric component of plant cell walls, forms aggregates in vivo and poses a barrier to cellulosic ethanol production. Here, neutron scattering experiments and molecular dynamics simulations reveal that lignin aggregates are characterized by a surface fractal dimension that is invariant under change of scale from ∼1-1000 A. The simulations also reveal extensive water penetration of the aggregates and heterogeneous chain dynamics corresponding to a rigid core with a fluid surface.
UR - https://www.scopus.com/pages/publications/79961092461
U2 - 10.1103/PhysRevE.83.061911
DO - 10.1103/PhysRevE.83.061911
M3 - Article
AN - SCOPUS:79961092461
SN - 1539-3755
VL - 83
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 6
M1 - 061911
ER -