Surface excess momentum balances by integration across the surface of the volume balances

2007 ◽  
pp. 28-36
Author(s):  
A. Sanfeld ◽  
A. Steinchen
Keyword(s):  
Surface Excess ◽  
Excess Momentum

Molecular Characterization of the Surface Excess Charge Layer in Droplets

2020 ◽  
Author(s):  
Victor Kwan ◽  
Styliani Consta
Keyword(s):  
Hydrogen Bonds ◽  
Surface Charge ◽  
Droplet Size ◽  
Chloride Ions ◽  
Total Charge ◽  
Excess Charge ◽  
Surface Excess ◽  
High Concentration ◽  
Dipole Orientation ◽  
Charge Layer

<div>Charged droplets play a central role in native mass spectrometry, atmospheric aerosols and in serving as micro-reactors for accelerating chemical reactions. The surface excess charge layer in droplets has often been associated with distinct chemistry. Using molecular simulations for droplets with Na+ and Cl- ions we have found that this layer is ≈ 1.5−1.7 nm thick and depending on the droplet size it includes 33%-55% of the total number of ions. Here, we examine the effect of droplet size and nature of ions in the structure of the surface excess charge layer by using molecular dynamics. We find that in the presence of simple ions the thickness of the surface excess charge layer is invariant not only with respect to droplet size but also with respect to the nature of the simple ions and it is not sensitive to fine details of different force fields used in our simulations.</div><div> In the presence of macroions the excess surface charge layer may extend to 2.0. nm. For the same droplet size, iodide and model hydronium ions show considerably higher concentration than the sodium and chloride ions. <br></div><div>We also find that differences in the average water dipole orientation in the presence of cations and anions in this layer are reflected in the charge distributions. Within the surface charge layer, the number of hydrogen bonds reduces gradually relative to the droplet interior where the number of hydrogen bonds is on the average 2.9 for droplets of diameter < 4 nm and 3.5 for larger droplets. The decrease in the number of hydrogen bonds from the interior to the surface is less pronounced in larger droplets. In droplets with diameter < 4 nm and high concentration of ions the charge of the ions is not compensated only by the solvent polarization charge but by the total charge that also includes the other free charge. This finding shows exceptions to the commonly made assumption that the solvent compensates the charge of the ions in solvents with very high dielectric constant. The study provides molecular insight into the bi-layer droplet structure assumed in the equilibrium partitioning model of C. Enke and assesses critical assumptions of the Iribarne-Thomson model for the ion-evaporation mechanism. <br></div>

Studies of a Mixed Adsorption Layer of Butan-1-ol and o-Toluidine on Mercury Electrode

2002 ◽  
Vol 67 (11) ◽  
pp. 1579-1588 ◽  
Author(s):  
Dorota Sieńko ◽  
Dorota Gugała ◽  
Jolanta Nieszporek ◽  
Joanna Jankowska ◽  
Jadwiga Saba
Keyword(s):  
Thermodynamic Analysis ◽  
Adsorption Layer ◽  
Supporting Electrolyte ◽  
Mercury Electrode ◽  
Interaction Constant ◽  
Repulsive Interaction ◽  
Surface Excess ◽  
Adsorption Parameters ◽  
Frumkin Isotherm ◽  
Adsorption Layers

The results of thermodynamic analysis of o-toluidine adsorption on a mercury electrode in the presence of various butan-1-ol amounts complete our previous studies on properties of mixed adsorption layers of toluidine isomers-butan-1-ol. The values of the relative surface excess Γ'°T obtained for o-toluidine show that adsorption of this compound decreases with increasing of butan-1-ol concentration. Analysis of adsorption parameters derived from the Frumkin isotherm indicates that in the presence of 0.33 M BuOH in 1 M NaClO4 with adjusted pH 3 as supporting electrolyte, ∆G0 values for o-toluidine are the highest and, at the same time, the strongest repulsive interaction occurs. In the presence of 0.11 M butan-1-ol, smaller values of ∆G0 for o-toluidine correspond to weaker repulsive interaction. Therefore the change of the Γ'°T value for o-toluidine as a function of butan-1-ol concentration is the result of mutual changes of ∆G0 and interaction constant A between adsorbate molecules.

scholarly journals Surface and Catalytic Properties of NiO and Co3O4 Solids Doped with Cobalt and Nickel Ions

2002 ◽  
Vol 20 (5) ◽  
pp. 467-484
Author(s):  
G.A. El-Shobaky ◽  
A.M. Turky ◽  
A.M. Ghozza
Keyword(s):  
Particle Size ◽  
Thermal Treatment ◽  
Surface Area ◽  
Catalytic Properties ◽  
Excess Oxygen ◽  
Average Particle ◽  
Surface Excess ◽  
Nickel Ions ◽  
Nickel Species ◽  
Cobalt And Nickel

The effects of doping NiO and Co3O4 solids with cobalt and nickel species on their surface and catalytic properties were investigated. The amounts of dopant, in the form of the corresponding nitrate, were varied between 0.5–6.0 mol% cobalt ions and 2.0–6.0 mol% nickel ions. Pure and variously doped solids were subjected to thermal treatment at 300–700°C. The techniques employed were XRD, nitrogen adsorption at −196°C, decomposition of H2O2 at 30–50°C and estimation of the amount of surface excess oxygen on the variously prepared solids as determined by the hydrazine method. The results obtained revealed that the pure and variously doped NiO samples precalcined at 300°C consisted of a finely divided NiO phase having an average particle size of ca. 40 Å. Pure and variously doped Co3O4 specimens preheated at 500°C and 700°C were composed of a Co3O4 phase with a much bigger particle size (230 Å and 350 Å, respectively, for the solids precalcined at 500°C and 700°C). Doping of NiO followed by thermal treatment at 300°C and 500°C resulted in a measurable decrease in its BET surface area (19–23%), while doping of Co3O4 with nickel species followed by heating at 500°C and 700°C brought about a significant increase in its specific surface area (56–60%). Doping each of the NiO and Co3O4 solids with cobalt and nickel species greatly increased the amount of surface excess oxygen and effected a considerable increase in their catalytic activities. This increase was, however, much more pronounced in the case of NiO which attained a value of ca. 100-fold. Doping of NiO with cobalt species followed by thermal treatment at 300°C and 500°C decreased the activation energy (DE) of the catalyzed reaction to an extent proportional to the amount of dopant added. On the other hand, doping of Co3O4 with nickel species followed by thermal treatment at 500°C and 700°C did not change the value of DE. These results suggest that doping of Co3O4 with nickel species did not modify the mechanism of the catalyzed reaction but increased the concentration of catalytically active sites without changing their energetic nature.

An approach to simulation of dual drainage

1999 ◽  
Vol 39 (9) ◽  
pp. 95-103 ◽  
Author(s):  
S. Djordjević ◽  
D. Prodanović ◽  
Č. Maksimović
Keyword(s):  
Numerical Model ◽  
Model Development ◽  
Ground Level ◽  
Surface Flow ◽  
Surface Excess ◽  
Runoff Simulation ◽  
Sewer System ◽  
Excess Water ◽  
Flow Through ◽  
The One

The paper presents the development of the field of urban drainage modelling known as dual drainage - an approach to rainfaill runoff simulation in which the numerical model takes into account not only the flow through the sewer system, but also the flow on the surface. The steps in model development are described, and necessary data, assumptions used and operations to be performed using GIS are discussed. The numerical model simultaneously handles the full dynamic equations of flow through the sewer system and simplified equations of the surface flow. The surface excess water (due to the limited capacity of inlets or to the hydraulic head in the sewer system reaching the ground level) is routed to the neighbour subcatchment (not necessarily the one attached to the downstream network node), using surface retentions, if any.

Surface-Excess Transport of Momentum

1991 ◽  
pp. 434-459
Author(s):  
David A. Edwards ◽  
Howard Brenner ◽  
Darsh T. Wasan
Keyword(s):  
Surface Excess
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