Melting Behavior in Binary Compounds: Inclusion Compounds as Examples of Congruent vs Incongruent Melting

1994 ◽  
Vol 6 (5) ◽  
pp. 603-610 ◽  
Author(s):  
Mary Anne White ◽  
Randall T. Perry
Molecules ◽  
2021 ◽  
Vol 26 (3) ◽  
pp. 720
Author(s):  
Steffi Wünsche ◽  
Lina Yuan ◽  
Andreas Seidel-Morgenstern ◽  
Heike Lorenz

Bis(demethoxy)curcumin (BDMC) is one of the main active components found in turmeric. Major drawbacks for its usage are its low aqueous solubility, and the challenging separation from other curcuminoids present in turmeric. Co-crystallization can be applied to alter the physicochemical properties of BDMC in a desired manner. A co-crystal screening of BDMC with four hydroxybenzenes was carried out using four different methods of co-crystal production: crystallization from solution by slow solvent evaporation (SSE), and rapid solvent removal (RSR), liquid-assisted grinding (LAG), and crystallization from the melt phase. Two co-crystal phases of BDMC were obtained with pyrogallol (PYR), and hydroxyquinol (HYQ). PYR-BDMC co-crystals can be obtained only from the melt, while HYQ-BDMC co-crystals could also be produced by LAG. Both co-crystals possess an equimolar composition and reveal an incongruent melting behavior. Infrared spectroscopy demonstrated the presence of BDMC in the diketo form in the PYR co-crystals, while it is in a more stable keto-enol form in the HYQ co-crystals. Solubility measurements in ethanol and an ethanol-water mixture revealed an increase of solubility in the latter, but a slightly negative effect on ethanol solubility. These results are useful for a prospective development of crystallization-based separation processes of chemical similar substances through co-crystallization.


TAPPI Journal ◽  
2012 ◽  
Vol 11 (7) ◽  
pp. 9-14 ◽  
Author(s):  
AINO LEPPÄNEN ◽  
ERKKI VÄLIMÄKI ◽  
ANTTI OKSANEN

Under certain conditions, ash in black liquor forms a locally corrosive environment in a kraft recovery boiler. The ash also might cause efficiency losses and even boiler shutdown because of plugging of the flue gas passages. The most troublesome compounds in a fuel such as black liquor are potassium and chlorine because they change the melting behavior of the ash. Fouling and corrosion of the kraft recovery boiler have been researched extensively, but few computational models have been developed to deal with the subject. This report describes a computational fluid dynamics-based method for modeling the reactions between alkali metal compounds and for the formation of fine fume particles in a kraft recovery boiler furnace. The modeling method is developed from ANSYS/FLUENT software and its Fine Particle Model extension. We used the method to examine gaseous alkali metal compound and fine fume particle distributions in a kraft recovery boiler furnace. The effect of temperature and the boiler design on these variables, for example, can be predicted with the model. We also present some preliminary results obtained with the model. When the model is developed further, it can be extended to the superheater area of the kraft recovery boiler. This will give new insight into the variables that increase or decrease fouling and corrosion


2020 ◽  
Author(s):  
Cameron Hargreaves ◽  
Matthew Dyer ◽  
Michael Gaultois ◽  
Vitaliy Kurlin ◽  
Matthew J Rosseinsky

It is a core problem in any field to reliably tell how close two objects are to being the same, and once this relation has been established we can use this information to precisely quantify potential relationships, both analytically and with machine learning (ML). For inorganic solids, the chemical composition is a fundamental descriptor, which can be represented by assigning the ratio of each element in the material to a vector. These vectors are a convenient mathematical data structure for measuring similarity, but unfortunately, the standard metric (the Euclidean distance) gives little to no variance in the resultant distances between chemically dissimilar compositions. We present the Earth Mover’s Distance (EMD) for inorganic compositions, a well-defined metric which enables the measure of chemical similarity in an explainable fashion. We compute the EMD between two compositions from the ratio of each of the elements and the absolute distance between the elements on the modified Pettifor scale. This simple metric shows clear strength at distinguishing compounds and is efficient to compute in practice. The resultant distances have greater alignment with chemical understanding than the Euclidean distance, which is demonstrated on the binary compositions of the Inorganic Crystal Structure Database (ICSD). The EMD is a reliable numeric measure of chemical similarity that can be incorporated into automated workflows for a range of ML techniques. We have found that with no supervision the use of this metric gives a distinct partitioning of binary compounds into clear trends and families of chemical property, with future applications for nearest neighbor search queries in chemical database retrieval systems and supervised ML techniques.


2019 ◽  
Vol 486 (4) ◽  
pp. 460-465
Author(s):  
E. V. Sharkov ◽  
A. V. Chistyakov ◽  
M. M. Bogina ◽  
O. A. Bogatikov ◽  
V. V. Shchiptsov ◽  
...  

Tiksheozero ultramafic-alkaline-carbonatite intrusive complex, like numerous carbonatite-bearing complexes of similar composition, is a part of large igneous province, related to the ascent of thermochemical mantle plume. Our geochemical and isotopic data evidence that ultramafites and alkaline rocks are joined by fractional crystallization, whereas carbonatitic magmas has independent origin. We suggest that origin of parental magmas of the Tiksheozero complex, as well as other ultramafic-alkaline-carbonatite complexes, was provided by two-stage melting of the mantle-plume head: 1) adiabatic melting of its inner part, which produced moderately-alkaline picrites, which fractional crystallization led to appearance of alkaline magmas, and 2) incongruent melting of the upper cooled margin of the plume head under the influence of CO2-rich fluids  that arrived from underlying zone of adiabatic melting gave rise to carbonatite magmas.


2004 ◽  
Vol 383 (1-2) ◽  
pp. 189-194 ◽  
Author(s):  
K. Kanaya ◽  
S. Abe ◽  
H. Yoshida ◽  
K. Kamigaki ◽  
T. Kaneko

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
John S. McCloy ◽  
José Marcial ◽  
Jack S. Clarke ◽  
Mostafa Ahmadzadeh ◽  
John A. Wolff ◽  
...  

AbstractEuropean Bronze and Iron Age vitrified hillforts have been known since the 1700s, but archaeological interpretations regarding their function and use are still debated. We carried out a series of experiments to constrain conditions that led to the vitrification of the inner wall rocks in the hillfort at Broborg, Sweden. Potential source rocks were collected locally and heat treated in the laboratory, varying maximum temperature, cooling rate, and starting particle size. Crystalline and amorphous phases were quantified using X-ray diffraction both in situ, during heating and cooling, and ex situ, after heating and quenching. Textures, phases, and glass compositions obtained were compared with those for rock samples from the vitrified part of the wall, as well as with equilibrium crystallization calculations. ‘Dark glass’ and its associated minerals formed from amphibolite or dolerite rocks melted at 1000–1200 °C under reducing atmosphere then slow cooled. ‘Clear glass’ formed from non-equilibrium partial melting of feldspar in granitoid rocks. This study aids archaeological forensic investigation of vitrified hillforts and interpretation of source rock material by mapping mineralogical changes and glass production under various heating conditions.


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