16 research outputs found
On the corresponding states law of the Yukawa fluid
We have analyzed the currently available simulation results, as well as
performed some additional Monte Carlo simulation for the hard-core attractive
Yukawa fluid in order to study its corresponding state behavior. We show that
the values of reduced surface tension map onto the master curve, and a
universal equation of state can be obtained in the wide range of the attractive
Yukawa tail length after a certain re-scaling of the number density. Some
comparisons with other nonconformal potentials are presented and discussed
Medium dependence of asphaltene agglomeration inhibitor efficiency
Applying chemical additives (molecule inhibitors or dispersants) is one of
the common ways to control asphaltene agglomeration and precipitation. However,
it is not clear why at some conditions the synthetic flocculation inhibitors as
well as resins not only do not inhibit the asphaltene agglomeration,, they may
also promote it, and why the increasing of the additive concentration may lead
to the diminishing of their efficacy. To clarify this issue, in the present
work we have performed a set of vapor preassure osmometry experiments
investigating the asphaltene agglomeration inhibition by commercial and new
inhibitor molecules in toluene and o-diclorobenzene. Monte Carlo computer
modeling has been applied to interpret some unexpected trends of molar mass of
the Puerto Ceiba asphaltene clusters at different concentrations of inhibitor,
assuming that inhibitors efficiency is directly related to their adsorption on
the surface of asphaltene or its complexes. It has been found that a
self-assembly of inhibitor molecules, induced by relative lyophilic or
lyophobic interactions, may be a reason of the inhibitor efficacy declining.Comment: 21 page
Some universal trends of the Mie(n,m) fluid thermodynamics
By using canonical Monte Carlo simulation, the liquid-vapor phase diagram,
surface tension, interface width, and pressure for the Mie(n,m) model fluids
are calculated for six pairs of parameters and . It is shown that after
certain re-scaling of fluid density the corresponding states rule can be
applied for the calculations of the thermodynamic properties of the Mie model
fluids, and for some real substancesComment: 4 figure
New criteria for the equation of state development: Simple model fluids
Recently we have proposed (J. Chem. Phys. 128 (2008) 134508) a new rescaling
of fluid density by its critical value to apply the
corresponding states law for the attractive Yukawa fluids study. Analysis of
precise simulation results allows us to generalize this concept to the case of
simple fluids with different interparticle interactions, like Mie (n,m) and
Sutherland pair potentials. It is shown, that there is a linear relationship
between the critical pressure and critical temperature, as well as the critical
density and inverse critical temperature for these frequently used pair
potentials. As a consequence, the critical compressibility factor of these
model fluids is close to its universal value measured experimentally for
different real substances.Comment: 5 pages, 3 figure
Effect of the acrylic acid content on the permeability and water uptake of latex films
Acrylic acid (AA) is a monomer commonly employed in emulsion polymerization
to provide electrostatic colloidal stability and improve specific film
performance. The addition of AA not only modifies the kinetics of the
polymerization, but also it takes part in the interaction between colloidal
particles, which has a strong influence on their packing and consequent latex
film properties. In this contribution a theoretical modeling of the latex film
formation is presented and compared to experimental results: water vapor
permeability and latex film capacitance are studied as a function of AA
content. It has been shown that water uptake is mainly affected by film
morphology which in turn is defined by intercolloidal interaction and drying
rate.Comment: 16 pages, 7 figure