A lattice model of electrolytes for the whole concentration range

1987 ◽  
Vol 52 (7) ◽  
pp. 1672-1679 ◽  
Author(s):  
Ivan Horsák ◽  
Ivo Sláma

Based on the quasi-lattice concept, a simple model is proposed for calculating the quantities of mixing of strong electrolyte solutions over the whole concentration range from pure solvent to pure salt. This model is analogous to the regular solution model for non-electrolyte systems. Relationships for the activity coefficients of the solvent and salt have been derived, and the behaviour of the model in the limit of infinite dilution is discussed by comparison with the Debye-Huckel theory. The adequacy of equations derived from the proposed model has been tested by fitting published experimental data for the activities of water in the systems (Li, K)NO3-H2O and (Ag, Tl)NO3-H2O, which have been measured over the whole concentration range.

1965 ◽  
Vol 43 (6) ◽  
pp. 1812-1828 ◽  
Author(s):  
J. E. Lane ◽  
J. S. Kirkaldy

A quasi-crystalline model of a dilute ternary liquid system is proposed in which diffusion occurs by an interchange of species on neighboring lattice sites. Nonelectrolyte molecules are assumed to interchange with any type of diffusing species present in the system. In ternary nonelectrolyte systems relatively large cross-effects are associated with the mutual interchange of the two dilute solute species. The symmetry of the L-matrix arises directly through the application of detailed balance (microscopic reversibility) to this unit process.In electrolyte solutions, the only significant contribution to the ionic fluxes is expected to arise through interchange of ions with uncharged molecules. For diffusion in an aqueous solution of two strong electrolytes with a common ion, large off-diagonal L-coefficients result from the transformation of the lattice-referred diagonal diffusion matrix, written in terms of ionic fluxes and forces, to a form which relates the two independent salt fluxes and forces. Symmetry of the L-matrix in this case arises indirectly through the application of detailed balance to the ion-solvent interchanges. In aqueous electrolyte solutions the dilute solution ternary L-coefficients can be calculated from the independent individual ionic mobilities at infinite dilution, and these are found to be in excellent agreement with the experimental values for the system NaCl–KCl–H2O. The application of the model to binary electrolyte solutions at infinite dilution correctly yields the Nernst equation.The model is extended to solutions of two electrolytes with one or both incompletely ionized and to solutions containing a nonelectrolyte and a strong electrolyte. In all applications of the model the derived L-coefficients satisfy the well-known thermodynamic requirements. When appropriate ancillary data is available, the model yields fair to excellent predictions of the diffusion matrix at low concentrations of the solute species. Possible methods of improving the agreement at higher concentrations are discussed.


2012 ◽  
Vol 7 (2) ◽  
pp. 100-106
Author(s):  
André L. Perin ◽  
Arianne S. N. Pereira ◽  
Paula Ghedini Der Agopian ◽  
João Antonio Martino ◽  
Renato Giacomini

In this work, a simple model that accounts for the variation of electron mobility as a function of the silicondielectric interface crystallographic orientation is presented. Simulations were conducted in order to compute the effective mobility of planar devices and its results were compared to experimental data for several interface orientations. The error between experimental data and the proposed model remained bellow 4%. The model has been applied to nMOS circular surrounding gate (thin-pillar transistor - CYNTHIA) and allowed the observation of current density variations as a function of the interface orientation around the silicon pillar.


2020 ◽  
Vol 17 (6) ◽  
pp. 511-522 ◽  
Author(s):  
Alicia Graciela Cid ◽  
María Verónica Ramírez-Rigo ◽  
María Celeste Palena ◽  
Elio Emilio Gonzo ◽  
Alvaro Federico Jimenez-Kairuz ◽  
...  

Background: Mathematical modeling in modified drug release is an important tool that allows predicting the release rate of drugs in their surrounding environment and elucidates the transport mechanisms involved in the process. Objective: The aim of this work was to develop a mathematical model that allows evaluating the release profile of drugs from polymeric carriers in which the swelling phenomenon is present. Methods: Swellable matrices based on ionic complexes of alginic acid or carboxymethylcellulose with ciprofloxacin were prepared and the effect of adding the polymer sodium salt on the swelling process and the drug release was evaluated. Experimental data from the ciprofloxacin release profiles were mathematically adjusted, considering the mechanisms involved in each stage of the release process. Results: A proposed model, named “Dual Release” model, was able to properly fit the experimental data of matrices presenting the swelling phenomenon, characterized by an inflection point in their release profile. This entails applying the extended model of Korsmeyer-Peppas to estimate the percentage of drug released from the first experimental point up to the inflection point and then a model called Lumped until the final time, allowing to adequately represent the complete range of the drug release profile. Different parameters of pharmaceutical relevance were calculated using the proposed model to compare the profiles of the studied matrices. Conclusion: The “Dual Release” model proposed in this article can be used to predict the behavior of complex systems in which different mechanisms are involved in the release process.


Author(s):  
Adam Barylski ◽  
Mariusz Deja

Silicon wafers are the most widely used substrates for fabricating integrated circuits. A sequence of processes is needed to turn a silicon ingot into silicon wafers. One of the processes is flattening by lapping or by grinding to achieve a high degree of flatness and parallelism of the wafer [1, 2, 3]. Lapping can effectively remove or reduce the waviness induced by preceding operations [2, 4]. The main aim of this paper is to compare the simulation results with lapping experimental data obtained from the Polish producer of silicon wafers, the company Cemat Silicon from Warsaw (www.cematsil.com). Proposed model is going to be implemented by this company for the tool wear prediction. Proposed model can be applied for lapping or grinding with single or double-disc lapping kinematics [5, 6, 7]. Geometrical and kinematical relations with the simulations are presented in the work. Generated results for given workpiece diameter and for different kinematical parameters are studied using models programmed in the Matlab environment.


Author(s):  
Fakhreddine Landolsi ◽  
Fathi H. Ghorbel ◽  
James B. Dabney

AFM-based nanomanipulation is very challenging because of the complex mechanics in tip-sample interactions and the limitations in AFM visual sensing capabilities. In the present paper, we investigate the modeling of AFM-based nanomanipulation emphasizing the effects of the relevant interactions at the nanoscale. The major contribution of the present work is the use of a combined DMT-JKR interaction model in order to describe the complete collision process between the AFM tip and the sample. The coupling between the interactions and the friction at the nanoscale is emphasized. The efficacy of the proposed model to reproduce experimental data is demonstrated via numerical simulations.


2011 ◽  
Vol 321 ◽  
pp. 192-195
Author(s):  
Qing Bin Yang ◽  
Xiao Yang

In order to analysis the relationship between the strength and elongation and the blended ratio of SPF/Cotton blended yarn, the strength and elongation of SPF /cotton blended yarn with different blended ratio were measured and compared with the simple model. The results indicated that For the SPF/cotton blended yarn, the difference between the experimental data and the model value is remarkable because of the high cohesion of the cotton fibers.


2018 ◽  
Vol 462 ◽  
pp. 130-152 ◽  
Author(s):  
Georgios M. Kontogeorgis ◽  
Bjørn Maribo-Mogensen ◽  
Kaj Thomsen

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