An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys

In this paper, a general and effective strategy was first developed to maintain the CALPHAD atomic mobility database of multicomponent systems, based on the pragmatic numerical method and freely accessible HitDIC software, and then applied to update the atomic mobility descriptions of the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems. A set of the self-consistent atomic mobility database of the hcp Mg–Al–Zn–Sn system was established following the new strategy presented. A comprehensive comparison between the model-predicted composition–distance profiles/inter-diffusivities in the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems from the presently updated atomic mobilities and those from the previous ones that used the traditional method indicated that significant improvement can be achieved utilizing the new strategy, especially in the cases with sufficient experimental composition–distance profiles and/or in higher-order systems. Furthermore, it is anticipated that the proposed strategy can serve as a standard for maintaining the CALPHAD atomic mobility database in different multicomponent systems.

Multicomponent Spiral Wound Membrane Separation Model for CO2 Removal from Natural Gas

A spiral wound membrane (SWM) is employed to separate acid gases (mainly CO2) from natural gas due to its robustness, lower manufacturing cost, and moderate packing density compared to hollow fiber membranes. Various mathematical models are available to describe the separation performance of SWMs under different operating conditions. Nevertheless, most of the mathematical models deal with only binary gas mixtures (CO2 and CH4) that may lead to an inaccurate assessment of separation performance of multicomponent natural gas mixtures. This work is aimed to develop an SWM separation model for multicomponent natural gas mixtures. The succession stage method is employed to discretize the separation process within the multicomponent SWM module for evaluating the product purity, hydrocarbon loss, stage cut, and permeate acid gas composition. Our results suggest that multicomponent systems tend to generate higher product purity, lower hydrocarbon loss, and augmented permeate acid gas composition compared to the binary system. Furthermore, different multicomponent systems yield varied separation performances depending on the component of the acid gas. The developed multicomponent SWM separation model has the potential to design and optimize the spiral wound membrane system for industrial application.

Thermodynamics of Solid-Phase Exchange Reactions Limiting the Subsolidus Structure of the System MgO-Al2O3-FeO-TiO2

The basis of modern materials science is multicomponent systems, on their basis it is possible to create various combinations of phases in structural materials with a set of specified properties. The investigated system MgO-Al2O3-FeO-TiO2 is promising for the production of periclase-spinel refractories used as lining of rotary kilns during cement clinker firing, which are highly resistant to chemical corrosion when exposed to a gas environment and cement clinker components; thermomechanical stresses. However, in the reference literature and scientific articles, no information was found on the structure of the four-component diagram of the state of the MgO-Al2O3-FeO-TiO2 system, partial elements of its structure are given only in the composition of multicomponent systems [1-3]. Thus, research to the study of the subsolidus structure of the MgO-Al2O3-FeO-TiO2 system, which is the physicochemical basis for the development of compositions of periclase-spinel refractories, is urgent.