Mass transfer based on chemical potential theory: ZnSO4/H2SO4/D2EHPA

AIChE Journal ◽  
1997 ◽  
Vol 43 (10) ◽  
pp. 2479-2487 ◽  
Author(s):  
Hartmut Klocker ◽  
Hans-Jörg Bart ◽  
Rolf Marr ◽  
Hansjourg MÜLler
Author(s):  
Antony N. Beris ◽  
Brian J. Edwards

In this chapter, we wish to exploit the availability of the bracket formalism in the description of complex, non-conventional transport phenomena. In the first section, §10.1, we analyze relaxational phenomena in heat and mass transfer. The next section, §10.2, includes the description of phase transitions in inhomogeneous media. The last section, §10.3, contains a first effort to describe inertial effects in viscoelasticity. These problems have rarely been considered in the past, and when they have it has always been from a phenomenological perspective. We explore the availability of the bracket formalism here to provide a more systematic basis for these systems than has heretofore been available, and hence we characterize the models in this chapter as semi-phenomenological. The basic approach that we use is to first establish an appropriate internal variable for the system in consideration, and then to divine an appropriate Hamil-tonian which does, in some limits, produce available phenomenological models. (The latter step indicates why we characterize the models deve-loped in this chapter as “semi-phenomenological.”) As we shall see, describing the models on this more fundamental basis clears up a number of inconsistencies, as well as extending their range of validity without unduly sacrificing their simplicity. In most engineering applications of heat and mass transfer, the simple linear constitutive relations of (6.4-12) are adequate in order to describe the respective transport processes. A couple of very simple examples are the heat flux, when the affinity is the temperature gradient (giving Fourier's law of heat conduction), and the mass diffusion flux, when the affinity is the chemical potential (giving Pick's law of mass diffusion). The importance of such relationships in engineering practice cannot be overestimated. The validity of the linearized equations is generally established by steady-state experiments, so the question that naturally arises is whether or not the same constitutive relationship will hold for transient phenomena. This question cannot be answered as long as only steady-state experiments are performed. From physical considerations alone, it is obvious that the linearized constitutive relationships cannot be complete, in and of themselves.


2017 ◽  
Vol 29 (4) ◽  
pp. 595-644 ◽  
Author(s):  
KEI FONG LAM ◽  
HAO WU

We derive a class of Navier–Stokes–Cahn–Hilliard systems that models two-phase flows with mass transfer coupled to the process of chemotaxis. These thermodynamically consistent models can be seen as the natural Navier–Stokes analogues of earlier Cahn–Hilliard–Darcy models proposed for modelling tumour growth, and are derived based on a volume-averaged velocity, which yields simpler expressions compared to models derived based on a mass-averaged velocity. Then, we perform mathematical analysis on a simplified model variant with zero excess of total mass and equal densities. We establish the existence of global weak solutions in two and three dimensions for prescribed mass transfer terms. Under additional assumptions, we prove the global strong well-posedness in two dimensions with variable fluid viscosity and mobilities, which also includes a continuous dependence on initial data and mass transfer terms for the chemical potential and the order parameter in strong norms.


2021 ◽  
Author(s):  
Simon Stephan ◽  
Dominik Schäfer ◽  
Kai Langenbach ◽  
Hans Hasse

A quasi-stationary molecular dynamics simulation method for studying mass transfer through vapour–liquid interfaces of mixtures driven by gradients of the chemical potential based on the dual control volume (DCV) method is described and tested. The rectangular simulation volume contains three bulk domains: a liquid domain in the middle with vapour on each side such that there are two vapour–liquid interfaces. The mass flux is generated by prescribing the chemical potential in control volumes in the vapour domains close to the outer boundary of the simulation volume. The simulation method was applied for studies of two binary Lennard-Jones mixtures: one in which a strong enrichment of the low-boiling component at the vapour–liquid interface is observed and another in which there is practically no enrichment. The two mixtures differ only in the dispersive interactions; their bulk diffusion coefficients are similar. Furthermore, the prescribed chemical potential difference was the same in all simulations. Nevertheless, important differences in the mass flux of the low-boiling component were observed for the two mixtures at all studied temperatures which might be related to the enrichment at the interfaces.


2013 ◽  
Vol 56 (6) ◽  
pp. 821-830 ◽  
Author(s):  
YuanHui Ji ◽  
XiaoYan Ji ◽  
XiaoHua Lu ◽  
YongMing Tu

1996 ◽  
Vol 08 (06) ◽  
pp. 819-859 ◽  
Author(s):  
FUMIO HIAI ◽  
DÉNES PETZ

Motivated from the chemical potential theory, we study quantum statistical thermodynamics in AF C*-systems generalizing usual one-dimensional quantum lattice systems. Our systems are C*-algebras [Formula: see text] which have a localization [Formula: see text] of finite-dimensional subalgebras indexed by finite intervals of Z and an automorphism γ acting as a right shift on the localization. Model examples are supplied from derived towers (string algebras) for type II1 factor-subfactor pairs. Given a (γ-invariant) interaction and a specific tracial state, we formulate the Gibbs conditions and the variational principle for (γ-invariant) states on [Formula: see text], and investigate the relationship among these conditions and the KMS condition for the time evolution generated by the interaction. Special attention is paid to C*-systems of gauge invariance (typical model in the chemical potential theory) and to C*-systems considered as quantum random walks on discrete groups. The CNT-dynamical entropy for the shift automorphism γ is also discussed.


Nanomaterials ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 554
Author(s):  
Oleg Il’in ◽  
Nikolay Rudyk ◽  
Alexandr Fedotov ◽  
Marina Il’ina ◽  
Dmitriy Cherednichenko ◽  
...  

The paper presents a theoretical model of the catalytic centers formation processes during annealing of multilayer nanosized metal films for carbon nanotubes growth. The approach to the description of the model is based on the mass transfer processes under the influence of mechanical thermoelastic stresses, which arise due to the difference in the thermal expansion coefficients of the substrate materials and nanosized metal layers. The thermal stress gradient resulting from annealing creates a drop in the chemical potential over the thickness of the film structure. This leads to the initiation of diffusion mass transfer between the inner and outer surfaces of the films. As a result, the outer surface begins to corrugate and fragment, creating separate islands, which serve as the basis for the catalytic centers formation. Experimental research on the formation of catalytic centers in the structure of Ni/Cr/Si was carried out. It is demonstrated that the proposed model allows to predict the geometric dimensions of the catalytic centers before growing carbon nanotubes. The results can be used to create micro- and nanoelectronics devices based on carbon nanotube arrays.


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