0000000000046843
AUTHOR
Bernard Rousseau
Non-hydrolysable macromolecular constituents from outer walls of Chlorella fusca and Nanochlorum eucaryotum
Abstract Many green microalgae possess a thin trilaminar outer wall (TLS) with a very high resistance to chemical degradation. TLS are known to play an important protective role in living cells. They are also selectively preserved during fossilization and thus provide a major contribution to the fossil organic matter of a number of sedimentary rocks. However, little information is available on TLS chemical structure. Examination of the TLS of Chlorella fusca (a lacustrine Chlorophycea) and of Nanochlorum eucaryotum (a recently discovered marine Chlorophycea) indicated that (i) they exhibit morphological features commonly observed in other green microalgae, (ii) their non-hydrolysable macrom…
Flux expressions and NEMD perturbations for models of semi-flexible molecules
We derive energy and momentum flux expressions, for systems composed of a general class of semi-flexible molecules, in the Ciccotti-Ferrario-Ryckaert linear constraint formalism. According to this formalism, the whole set of Cartesian coordinates is divided into basic (independent) and secondary (dependent) subsets. It is found that energy and momentum flux vectors have a simple and general expression using both basic and secondary coordinates. In the case of non-equilibrium molecular dynamics, we give general and simple heat and shear flow algorithms, deriving the dissipative fluxes in the space of all Cartesian coordinates. In comparison with previous derivations for some models of flexib…
Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential
International audience; Surface transfer coefficients are determined by nonequilibrium molecular dynamics simulations for a Lennard-Jones fluid with a long-range spline potential. In earlier work A. Røsjorde et al., J. Colloid Interface Sci. 240, 355 2001; J. Xu et al., ibid. 299, 452 2006, using a short-range Lennard-Jones spline potential, it was found that the resistivity coefficients to heat and mass transfer agreed rather well with the values predicted by kinetic theory. For the long-range Lennard-Jones spline potential considered in this paper we find significant discrepancies from the values predicted by kinetic theory. In particular the coupling coefficient, and as a consequence the…