16 research outputs found
Homogeneous nucleation of a non-critical phase near a continuous phase transition
Homogeneous nucleation of a new phase near a second, continuous, transition,
is considered. The continuous transition is in the metastable region associated
with the first-order phase transition, one of whose coexisting phases is
nucleating. Mean-field calculations show that as the continuous transition is
approached, the size of the nucleus varies as the response function of the
order parameter of the continuous transition. This response function diverges
at the continuous transition, as does the temperature derivative of the free
energy barrier to nucleation. This rapid drop of the barrier as the continuous
transition is approached means that the continuous transition acts to reduce
the barrier to nucleation at the first-order transition. This may be useful in
the crystallisation of globular proteins.Comment: 6 pages, 1 figur
Simulation study of Non-ergodicity Transitions: Gelation in Colloidal Systems with Short Range Attractions
Computer simulations were used to study the gel transition occurring in
colloidal systems with short range attractions. A colloid-polymer mixture was
modelled and the results were compared with mode coupling theory expectations
and with the results for other systems (hard spheres and Lennard Jones). The
self-intermediate scattering function and the mean squared displacement were
used as the main dynamical quantities. Two different colloid packing fractions
have been studied. For the lower packing fraction, -scaling holds and
the wave-vector analysis of the correlation function shows that gelation is a
regular non-ergodicity transition within MCT. The leading mechanism for this
novel non-ergodicity transition is identified as bond formation caused by the
short range attraction. The time scale and diffusion coefficient also show
qualitatively the expected behaviour, although different exponents are found
for the power-law divergences of these two quantities. The non-Gaussian
parameter was also studied and very large correction to Gaussian behaviour
found. The system with higher colloid packing fraction shows indications of a
nearby high-order singularity, causing -scaling to fail, but the
general expectations for non-ergodicity transitions still hold.Comment: 13 pages, 15 figure
Non-monotonic variation with salt concentration of the second virial coefficient in protein solutions
The osmotic virial coefficient of globular protein solutions is
calculated as a function of added salt concentration at fixed pH by computer
simulations of the ``primitive model''. The salt and counter-ions as well as a
discrete charge pattern on the protein surface are explicitly incorporated. For
parameters roughly corresponding to lysozyme, we find that first
decreases with added salt concentration up to a threshold concentration, then
increases to a maximum, and then decreases again upon further raising the ionic
strength. Our studies demonstrate that the existence of a discrete charge
pattern on the protein surface profoundly influences the effective interactions
and that non-linear Poisson Boltzmann and Derjaguin-Landau-Verwey-Overbeek
(DLVO) theory fail for large ionic strength. The observed non-monotonicity of
is compared to experiments. Implications for protein crystallization are
discussed.Comment: 43 pages, including 17 figure