Molecular Diffusion Across Particle Boundaries

2010 ◽  
pp. 151-183
Author(s):  
Joseph L. Keddie ◽  
Alexander F. Routh
Keyword(s):  
Molecular Diffusion

The Spread of Pollutants from Harbour Sludge Depots

1984 ◽  
Vol 16 (3-4) ◽  
pp. 623-633
Author(s):  
M Loxham ◽  
F Weststrate
Keyword(s):  
Time Scales ◽  
Molecular Diffusion ◽  
Near Field ◽  
Parameter Analysis ◽  
Migration Patterns ◽  
Long Time ◽  
Dilution Effects ◽  
Short Time ◽  
Harbour Sludge

It is generally agreed that both the landfill option, or the civil techniques option for the final disposal of contaminated harbour sludge involves the isolation of the sludge from the environment. For short time scales, engineered barriers such as a bentonite screen, plastic sheets, pumping strategies etc. can be used. However for long time scales the effectiveness of such measures cannot be counted upon. It is thus necessary to be able to predict the long term environmenttal spread of contaminants from a mature landfill. A model is presented that considers diffusion and adsorption in the landfill site and convection and adsorption in the underlaying aquifer. From a parameter analysis starting form practical values it is shown that the adsorption behaviour and the molecular diffusion coefficient of the sludge, are the key parameters involved in the near field. The dilution effects of the far field migration patterns are also illustrated.

Qxygen transfer in gravity flow sewers

2000 ◽  
Vol 42 (3-4) ◽  
pp. 417-422 ◽  
Author(s):  
T.Y. Pai ◽  
C.F. Ouyang ◽  
Y.C. Liao ◽  
H.G. Leu
Keyword(s):  
Differential Equation ◽  
Partial Differential Equation ◽  
Dissolved Oxygen ◽  
Flow Velocity ◽  
Molecular Diffusion ◽  
Eddy Diffusion ◽  
Partial Differential ◽  
Diffusion Term ◽  
Sewer Pipes ◽  
Gravity Sewer

Oxygen diffused to water in gravity sewer pipes was studied in a 21 m long, 0.15 m diameter model sewer. At first, the sodium sulfide was added into the clean water to deoxygenate, then the pump was started to recirculate the water and the deoxygenated water was reaerated. The dissolved oxygen microelectrode was installed to measure the dissolved oxygen concentrations varied with flow velocity, time and depth. The dissolved oxygen concentration profiles were constructed and observed. The partial differential equation diffusion model that considered Fick's law including the molecular diffusion term and eddy diffusion term were derived. The analytic solution of the partial differential equation was used to determine the diffusivities by the method of nonlinear regression. The diffusivity values for the oxygen transfer was found to be a function of molecular diffusion, eddy diffusion and flow velocity.

Enhancement of catalytic esterification by tuning molecular diffusion in sulfonated carbon

2021 ◽  
Vol 318 ◽  
pp. 111024
Author(s):  
Lili Huang ◽  
Caicheng Song ◽  
Yingcen Liu ◽  
Hua Lin ◽  
Wanyue Ye ◽  
...  
Keyword(s):  
Molecular Diffusion

scholarly journals Molecular Dynamics Simulation on the Interaction between Palygorskite Coating and Linear Chain Alkane Base Lubricant

Coatings ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 286
Author(s):  
Jin Zhang ◽  
Lv Yang ◽  
Yue Wang ◽  
Huaichao Wu ◽  
Jiabin Cai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Structural Changes ◽  
Molecular Diffusion ◽  
Linear Chain ◽  
Interfacial Interaction ◽  
Dynamics Simulation ◽  
Electrostatic Energy ◽  
Experimental Development ◽  
Practical Applications ◽  
Self Diffusion

Molecular dynamics (MD) simulations were conducted to investigate the interactions between a palygorskite coating and linear chain alkanes (dodecane C12, tetradecane C14, hexadecane C16, and octadecane C18), representing base oils in this study. The simulation models were built by placing the alkane molecules on the surface of the palygorskite coating. These systems were annealed and geometrically optimized to obtain the corresponding stable configurations, followed by the analysis of the structural changes occurring during the MD process. The interfacial interaction energies, mean square displacements, and self-diffusion coefficients of the systems were evaluated to characterize the interactions between base lubricant molecules and palygorskite coating. It was found that the alkanes exhibited self-arrangement ability after equilibrium. The interfacial interaction was attractive, and the electrostatic energy was the main component of the binding energy. The chain length of the linear alkanes had a significant impact on the intensity of the interfacial interactions and the molecular diffusion behavior. Moreover, the C12 molecule exhibited higher self-diffusion coefficient values than C14, C16 and C18. Therefore, it could be the best candidate to form an orderliness and stable lubricant film on the surface of the palygorskite coating. The present work provides new insight into the optimization of the structure and composition of coatings and lubricants, which will guide the experimental development of these systems for practical applications.

Evaluation of the mixing quality of high-viscosity yield stress fluids in a tubular reactor

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Le Xie ◽  
Guangwen He ◽  
Bin Yu ◽  
Shaowei Yan
Keyword(s):  
Yield Stress ◽  
Large Scale ◽  
Molecular Diffusion ◽  
Time History ◽  
High Viscosity ◽  
Cfd Model ◽  
Step Method ◽  
Mean Velocity ◽  
Mixing Quality

Abstract In this study, the mixing quality of high-viscosity yield stress fluid (Carbopol aqueous solution) under laminar and turbulent flow regimes was evaluated through a numerical experimental study. A three-dimensional computational fluid dynamics large-eddy simulation (CFD-LES) model was employed to capture large-scale vortex structures. The proposed CFD model was validated by the experimental data in terms of mean velocity profiles and velocity-time history. Thereafter, the CFD model was applied to simulate the residence time distribution using the tracking technique: tracer pulse method and step method. In addition, the non-ideal flow phenomena caused by molecular diffusion and eddy diffusion were evaluated. The effects of the rheological properties on the mixing performance were also investigated. The presented results can provide useful guidance to enhance mass transfer in reactors with high-viscosity fluids.

scholarly journals Gated Molecular Diffusion at Liquid‐Liquid Interfaces

2021 ◽  
Author(s):  
Lianshun Li ◽  
Huilou Sun ◽  
Mingwei Li ◽  
Yang Yang ◽  
Thomas P. Russell ◽  
...  
Keyword(s):  
Molecular Diffusion ◽  
Liquid Interfaces

scholarly journals On the dynamical interaction between overshooting convection and an underlying dipole magnetic field – I. The non-dynamo regime

2021 ◽  
Vol 503 (1) ◽  
pp. 362-375
Author(s):  
L Korre ◽  
NH Brummell ◽  
P Garaud ◽  
C Guervilly
Keyword(s):  
Magnetic Field ◽  
Turbulent Diffusion ◽  
Large Scale ◽  
Molecular Diffusion ◽  
Mean Field ◽  
Stable Region ◽  
Turbulent Regime ◽  
Poloidal Magnetic Field ◽  
Dynamical Interaction ◽  
Large Scale Field

ABSTRACT Motivated by the dynamics in the deep interiors of many stars, we study the interaction between overshooting convection and the large-scale poloidal fields residing in radiative zones. We have run a suite of 3D Boussinesq numerical calculations in a spherical shell that consists of a convection zone with an underlying stable region that initially compactly contains a dipole field. By varying the strength of the convective driving, we find that, in the less turbulent regime, convection acts as turbulent diffusion that removes the field faster than solely molecular diffusion would do. However, in the more turbulent regime, turbulent pumping becomes more efficient and partially counteracts turbulent diffusion, leading to a local accumulation of the field below the overshoot region. These simulations suggest that dipole fields might be confined in underlying stable regions by highly turbulent convective motions at stellar parameters. The confinement is of large-scale field in an average sense and we show that it is reasonably modelled by mean-field ideas. Our findings are particularly interesting for certain models of the Sun, which require a large-scale, poloidal magnetic field to be confined in the solar radiative zone in order to explain simultaneously the uniform rotation of the latter and the thinness of the solar tachocline.

scholarly journals Effect of Poly(L-lysine) and Heparin Coatings on the Surface of Polyester-Based Particles on Prednisolone Release and Biocompatibility

Pharmaceutics ◽  
2021 ◽  
Vol 13 (6) ◽  
pp. 801
Author(s):  
Abdelrahman Mohamed ◽  
Viktor Korzhikov-Vlakh ◽  
Nan Zhang ◽  
André Said ◽  
Iuliia Pilipenko ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Molecular Diffusion ◽  
Corneal Opacity ◽  
Testing Strategy ◽  
Release Process ◽  
Irritation Test ◽  
Model Drug ◽  
Novel Drug ◽  
Permeability Assay

A plethora of micro- and nanoparticle types are currently investigated for advanced ocular treatment due to improved drug retention times, higher bioavailability and better biocompatibility. Yet, comparative studies of both physicochemical and toxicological performance of these novel drug delivery systems are still rare. Herein, poly(L-lactic acid)- and poly(ε-caprolactone)-based micro- and nanoparticles were loaded with prednisolone as a model drug. The physicochemical properties of the particles were varied with respect to their hydrophilicity and size as well as their charge and the effect on prednisolone release was evaluated. The particle biocompatibility was assessed by a two-tier testing strategy, combining the EpiOcularTM eye irritation test and bovine corneal opacity and permeability assay. The biodegradable polyelectrolyte corona on the particles’ surface determined the surface charge and the release rate, enabling prednisolone release for at least 30 days. Thereby, the prednisolone release process was mainly governed by molecular diffusion. Finally, the developed particle formulations were found to be nontoxic in the tested range of concentrations.

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