380 research outputs found
Thermodiffusion in model nanofluids by molecular dynamics simulations
In this work, a new algorithm is proposed to compute single particle
(infinite dilution) thermodiffusion using Non-Equilibrium Molecular Dynamics
simulations through the estimation of the thermophoretic force that applies on
a solute particle. This scheme is shown to provide consistent results for
simple Lennard-Jones fluids and for model nanofluids (spherical non-metallic
nanoparticles + Lennard-Jones fluid) where it appears that thermodiffusion
amplitude, as well as thermal conductivity, decrease with nanoparticles
concentration. Then, in nanofluids in the liquid state, by changing the nature
of the nanoparticle (size, mass and internal stiffness) and of the solvent
(quality and viscosity) various trends are exhibited. In all cases the single
particle thermodiffusion is positive, i.e. the nanoparticle tends to migrate
toward the cold area. The single particle thermal diffusion 2 coefficient is
shown to be independent of the size of the nanoparticle (diameter of 0.8 to 4
nm), whereas it increases with the quality of the solvent and is inversely
proportional to the viscosity of the fluid. In addition, this coefficient is
shown to be independent of the mass of the nanoparticle and to increase with
the stiffness of the nanoparticle internal bonds. Besides, for these
configurations, the mass diffusion coefficient behavior appears to be
consistent with a Stokes-Einstein like law
Taylor dispersion with absorbing boundaries: A Stochastic Approach
We describe how to solve the problem of Taylor dispersion in the presence of
absorbing boundaries using an exact stochastic formulation. In addition to
providing a clear stochastic picture of Taylor dispersion, our method leads to
closed-form expressions for all the moments of the convective displacement of
the dispersing particles in terms of the transverse diffusion eigenmodes. We
also find that the cumulants grow asymptotically linearly with time, ensuring a
Gaussian distribution in the long-time limit. As a demonstration of the
technique, the first two longitudinal cumulants (yielding respectively the
effective velocity and the Taylor diffusion constant) as well as the skewness
(a measure of the deviation from normality) are calculated for fluid flow in
the parallel plate geometry. We find that the effective velocity and the
skewness (which is negative in this case) are enhanced while Taylor dispersion
is suppressed due to absorption at the boundary.Comment: 4 pages, 1 figur
Optimal Counter-current exchange networks
We present a general analysis of exchange devices linking their efficiency to the geometry of the exchange surface and supply network. For certain parameter ranges, we show that the optimal exchanger consists of densely packed pipes which can span a thin sheet of large area (an “active layer”), which may be crumpled into a fractal surface and supplied with a fractal network of pipes. We derive the efficiencies of such exchangers, showing the potential for significant gains compared to regular exchangers (where the active layer is flat), using parameters relevant to biological systems
Permeability and clearance views of drug absorption: A commentary
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/45051/1/10928_2006_Article_BF02354289.pd
Diffusiophoretic Focusing of Suspended Colloids
Using a microfluidic system to impose and maintain controlled, steady-state multicomponent pH and electrolyte gradients, we present systems where the diffusiophoretic migration of suspended colloids leads them to focus at a particular position, even in steady-state gradients. We show that naively superpositing effects of each gradient may seem conceptually and qualitatively reasonable, yet is invalid due to the coupled transport of these multicomponent electrolytes. In fact, reformulating the classic theories in terms of the flux of each species (rather than local gradients) reveals rather stringent conditions that are necessary for diffusiophoretic focusing in steady gradients. Either particle surface properties must change as a function of local composition in solution (akin to isoelectric focusing in electrophoresis), or chemical reactions must occur between electrolyte species, for such focusing to be possible. The generality of these findings provides a conceptual picture for understanding, predicting, or designing diffusiophoretic systems
Characteristics of Copper-based Oxygen Carriers Supported on Calcium Aluminates for Chemical-Looping Combustion with Oxygen Uncoupling (CLOU)
Eight different oxygen carriers (OC) containing CuO (60 wt %) and different mass ratios of CaO to Al2O3 as the support were synthesized by wet-mixing followed by calcination at 1000 °C. The method of synthesis used involved the formation of calcium aluminum hydrate phases and ensured homogeneous mixing of the Ca2+ and Al3+ ions in the support at the molecular level. The performance of the OCs for up to 100 cycles of reduction and oxidation was evaluated in both a thermogravimetric analyzer (TGA) and a fluidized bed reactor, covering a temperature range of 800 to 950 °C. In these cycling experiments, complete conversion of the OC, from CuO to Cu and vice versa, was always achieved for all OCs. The reactivity of the materials was so high that no deactivation could be observed in the TGA, owing to mass transfer limitations. It was found that OCs prepared with a mass ratio of CaO to Al2O3 in the support >0.55 agglomerated in the fluidized bed, resulting in an apparent deactivation over 25 cycles for all temperatures investigated. High ratios of mass of CaO to Al2O3 in the support resulted in CuO interacting with CaO, forming mixed oxides that have low melting temperatures, and this explains the tendency of these materials to agglomerate. This behavior was not observed when the mass ratio of CaO to Al2O3 in the support was ≤0.55 and such materials showed excellent cyclic stability operating under redox conditions at temperatures as high as 950 °C.The authors thank Mohammad Ismail and Matthew Dunstan for helping with the XRD analysis and Alex Casabuena-Rodriguez and for helping with the SEM. This work was supported by the Engineering and Physical Sciences Research Council (EPSRC grant EP/I010912/1).This is the final version of the article. It first appeared from ACS via http://dx.doi.org/10.1021/acs.iecr.5b0117
Understanding mechanisms of asphaltene adsorption from organic solvent on mica
The adsorption process of asphaltene onto molecularly smooth mica surfaces from toluene solutions of various concentrations (0.01-1 wt %) was studied using a surface forces apparatus (SFA). Adsorption of asphaltenes onto mica was found to be highly dependent on adsorption time and asphaltene concentration of the solution. The adsorption of asphaltenes led to an attractive bridging force between the mica surfaces in asphaltene solution. The adsorption process was identified as being controlled by the diffusion of asphaltenes from the bulk solution to the mica surface with a diffusion coefficient on the order of 10-10 m2/s at room temperature, depending on the asphaltene bulk concentration. This diffusion coefficient corresponds to a hydrodynamic molecular radius of approximately 0.5 nm, indicating that asphaltene diffuses to mica surfaces as individual molecules at very low concentration (e.g., 0.01 wt %). Atomic force microscopy images of the adsorbed asphaltenes on mica support the results of the SFA force measurements. The results from the SFA force measurements provide valuable insights into the molecular interactions (e.g., steric repulsion and bridging attraction as a function of distance) of asphaltenes in organic media and hence their roles in crude oil and bitumen production
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