spherical approximation
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2021 ◽  
Vol 14 (7) ◽  
pp. 4379-4400
Author(s):  
Eduardo Rossi ◽  
Costanza Bonadonna

Abstract. Aggregation of particles occurs in a large variety of settings and is therefore the focus of many disciplines, e.g., Earth and environmental sciences, astronomy, meteorology, pharmacy, and the food industry. In particular, in volcanology, ash aggregation deeply influences the sedimentation of volcanic particles in the atmosphere during and after a volcanic eruption, affecting the accuracy of model predictions and the evaluation of hazard and risk assessments. It is thus very important to provide an exhaustive description of the outcome of an aggregation process, starting from its basic geometrical features such as the position in space of its components and the overall porosity of the final object. Here we present SCARLET-1.0, a MATLAB package specifically created to provide a 3D virtual reconstruction for volcanic ash aggregates generated in central collision processes. In centrally oriented collisions, aggregates build up their own structure around the first particle (the core), acting as a seed. This is appropriate for aggregates generated in turbulent flows in which particles show different degrees of coupling with respect to the turbulent eddies. SCARLET-1.0 belongs to the class of sphere-composite algorithms, a family of algorithms that approximate 3D complex shapes in terms of a set of sphere-composite nonoverlapping spheres. The conversion of a 3D surface to its equivalent sphere-composite structure then allows for an analytical detection of the intersections between different objects that aggregate together. Thus, provided a list of colliding sizes and shapes, SCARLET-1.0 places each element in the vector around the core, minimizing the distances between their centers of mass. The user can play with different parameters that control the minimization process. Among them the most important ones are the cone of investigation (Ω), the number of rays per cone (Nr), and the number of orientations of the object (No). All the 3D shapes are described using the Standard Triangulation Language (STL) format, which is the current standard for 3D printing. This is one of the key features of SCARLET-1.0, which results in an unlimited range of applications of the package. The main outcome of the code is the virtual representation of the object, its size, porosity, density, and the associated STL file. In addition, the object can be potentially 3D printed. As an example, SCARLET-1.0 has been applied here to the investigation of ellipsoid–ellipsoid collisions and to a more specific analysis of volcanic ash aggregation. In the first application we show that the final porosity of two colliding ellipsoids is less than 20 % if flatness and elongation are greater than or equal to 0.5. Higher values of porosities (up to 40 %–50 %) can instead be found for ellipsoids with needle-like or extremely flat shapes. In the second application, we reconstruct the evolution in time of the porosity of two different aggregates characterized by different inner structures. We find that aggregates whose population of particles is characterized by a narrow distribution of sizes tend to rapidly reach a plateau in the porosity. In addition, to reproduce the observed densities, almost no compaction is necessary in SCARLET-1.0, which is a result that suggests how ash aggregates are not well described in terms of the maximum packing condition.


Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4136
Author(s):  
Michael Ludwig ◽  
Ramsia Geisler ◽  
Sylvain Prévost ◽  
Regine von Klitzing

Aqueous solutions of a nonionic surfactant (either Tween20 or BrijL23) and an anionic surfactant (sodium dodecyl sulfate, SDS) are investigated, using small-angle neutron scattering (SANS). SANS spectra are analysed by using a core-shell model to describe the form factor of self-assembled surfactant micelles; the intermicellar interactions are modelled by using a hard-sphere Percus–Yevick (HS-PY) or a rescaled mean spherical approximation (RMSA) structure factor. Choosing these specific nonionic surfactants allows for comparison of the effect of branched (Tween20) and linear (BrijL23) surfactant headgroups, both constituted of poly-ethylene oxide (PEO) groups. The nonionic–anionic surfactant mixtures are studied at various concentrations up to highly concentrated samples (ϕ ≲ 0.45) and various mixing ratios, from pure nonionic to pure anionic surfactant solutions. The scattering data reveal the formation of mixed micelles already at concentrations below the critical micelle concentration of SDS. At higher volume fractions, excluded volume effects dominate the intermicellar structuring, even for charged micelles. In consequence, at high volume fractions, the intermicellar structuring is the same for charged and uncharged micelles. At all mixing ratios, almost spherical mixed micelles form. This offers the opportunity to create a system of colloidal particles with a variable surface charge. This excludes only roughly equimolar mixing ratios (X≈ 0.4–0.6) at which the micelles significantly increase in size and ellipticity due to specific sulfate–EO interactions.


Author(s):  
S. V. G. MENON

The objective of this paper is to investigate the convergence of coupling-parameter expansion-based solutions to Ornstein-Zernike equation in liquid state theory. The analytically solved Baxter's adhesive hard sphere model is analyzed first using coupling-parameter expansion. It is found that the expansion provides accurate approximations to solutions - including the liquid-vapor phase diagram - in most parts of the phase plane. However, it fails to converge in the region where the model has only complex solutions. Similar analysis and results are, then, obtained using analytical solutions within the mean spherical approximation for the hard-core Yukawa potential. Next, convergence of the expansion is analyzed for the Lennard-Jonnes potential using an accurate density-dependent bridge function in the closure relation. Numerical results are presented which show convergence of correlation functions, compressibility versus density profiles, etc., in the single as well as two phase regions. Computed liquid-vapor phase diagrams, using two independent schemes employing the converged profiles, compare excellently with simulation data. Results obtained for the generalized Lennard-Jonnes potential, with varying repulsive exponent, also compare well with simulation data. All these results together establish the coupling-parameter expansion as a practical tool for studying single component fluid phases modeled via general pair-potentials.


2021 ◽  
Author(s):  
Avadh Bihari Narayan ◽  
Ashutosh Tiwari ◽  
Govind Sharma ◽  
Balaji Devaraju ◽  
Onkar Dikshit

<p>The spherical approximation of the fundamental equation of geodesy defines the boundary value problems. Stokes’s integral provides the solution of boundary value problems that enables the computation of geoid from the properly reduced gravity measurements to the geoid. The stokes integral can be evaluated by brute-force numerical integration, spectral methods, and least-squares collocation. There is a trade-off between computation time and accuracy when we chose numerical integration technique or any spectral method. This research will compare time complexity and the accuracy of different spectral methods (1D-FFT, 2D-FFT, Multi-band FFT) and numerical integration technique for the region in the lower Himalaya, around Nainital, Uttarakhand, India. </p>


2021 ◽  
Author(s):  
Yan Ming Wang

<p>The Rudzki inversion gravimetric reduction maps the Earth’s topographic masses inside the geoid in such a way that the inverted masses produce exactly the same potential as the topographic masses on the geoid. In other words, the indirect effect to the geoid is zero so that its computation is not needed. This paper proposes a geoid computation scheme that combines the Bouguer reduction and Rudzki inversion reduction under the spherical approximation and constant density assumption. The proposed computation scheme works with the Bouguer gravity field that is smooth and theoretically legitimate for the harmonic downward continuation. Then the Bouguer potential is compensated by the potential of the inverted masses, ensuring zero indirect effect to the geoid. The direct effect of the Rudzki inversion gravimetric reduction is added to the Bouguer gravity disturbance, resulting in the reduced gravity disturbance for geoid computation. A spherical harmonic reference gravity model is also developed so that the kernel modification/truncation can be applied to the Hotine integral. If the density of the topographic masses becomes available, the effect of density anomalies can be computed separately and added to the geoid computed under the constant density assumption. The combined ellipsoidal effect of the Bouguer and Rudzki inversion reduction should be insignificant because of the canceling effect between them.</p>


2021 ◽  
Vol 24 (2) ◽  
pp. 23801
Author(s):  
L. B. Bhuiyan

Structure and thermodynamics in restricted primitive model electrolytes are examined using three recently developed versions of a linear form of the modified Poisson-Boltzmann equation. Analytical expressions for the osmotic coefficient and the electrical part of the mean activity coefficient are obtained and the results for the osmotic and the mean activity coefficients are compared with that from the more established mean spherical approximation, symmetric Poisson-Boltzmann, modified Poisson-Boltzmann theories, and available Monte Carlo simulation results. The linear theories predict the thermodynamics to a remarkable degree of accuracy relative to the simulations and are consistent with the mean spherical approximation and modified Poisson-Boltzmann results. The predicted structure in the form of the radial distribution functions and the mean electrostatic potential also compare well with the corresponding results from the formal theories. The excess internal energy and the electrical part of the mean activity coefficient are shown to be identical analytically for the mean spherical approximation and the linear modified Poisson-Boltzmann theories.


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