Experiment and Mechanism Study on the Effect of Coal Ash on the Capture of Alkali Metals in Zhundong Coal

Author(s):  
Hu Xinglei

A large number of Xinjiang Zhundong coal was found in China. Its high content of alkali metals can cause serious fouling/slagging problems which may lead to economic losses. It is significant to control the release of alkali metals from Zhundong coal during the combustion. Si-Al additives are used to capture Na released from the Zhundong coal. In this work, a combination of experimental research and quantum chemical calculation was used to study the effect of coal ash on the capture of alkali metal in Zhundong high alkali Coal and the related mineral evolution mechanism during melting processes. The experiments were done with Zhundong coal/coal ash mixtures at 900–1200°C. The behavior mechanism of coal ash capturing alkali metals was analyzed from the perspective of mineral microstructure features by using XRD, ICP and quantum chemical calculation methods. The results show that during the process of combustions, complex chemical reactions occur among minerals after sodium is released from the coal and captured by the coal ash. The coal ash’s ability to capture sodium in Zhundong high alkali coal rises firstly, and then gradually decreases with the rise of temperature. It shows the best capture performance for sodium at 1000∼1100°C. The maximum efficiency of sodium absorption can reach to 50.6%. The coal ash shows a rather high efficiency compared with other additives. Furthermore, metals in Zhundong coal have opposite directions of migration. The Na, K, Al, Ca, and Mg migrated to the coal ash far away from the reaction interface, and the Fe and Mn were moved to the coal from the reaction interface. The original minerals of Zhundong coal mainly include calcium sulfate hydrate, quartz and kaolinite. Investigating the capture mechanism, it indicates that O (26) and O (22) in kaolinite have electrophilic reaction with Na+ and K+ easily, which would promote the rupture of aluminum-oxygen bonds. The O2- of alkali metal or alkaline earth metal oxide would easily have nucleophilic reaction with Si (6) and Si (8) and prompt the rupture of bridging oxygen bonds (Si-O-Si). Kaolinite would be transformed into some other minerals that contains Na+ or K+ which have trend to form eutectics or evaporate into the flue gas easily, the degree of fouling and slagging on heating surface can be reduced based on these two most easily reaction paths.

2006 ◽  
Vol 47 (S1) ◽  
pp. S86-S90 ◽  
Author(s):  
E. V. Butyrskaya ◽  
V. A. Shaposhnik ◽  
A. M. Butyrskii ◽  
A. G. Rozhkova

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hiroya Suno ◽  
Masahiko Machida ◽  
Terumi Dohi ◽  
Yoshihito Ohmura

AbstractWe evaluate stability of cesium (Cs) and other alkali-metal cation complexes of lichen metabolites in both gas and aqueous phases to discuss why lichens can retain radioactive Cs in the thalli over several years. We focus on oxalic acid, (+)-usnic acid, atranorin, lecanoric acid, and protocetraric acid, which are common metabolite substances in various lichens including, e.g., Flavoparmelia caperata and Parmotrema tinctorum retaining Cs in Fukushima, Japan. By performing quantum chemical calculations, their gas-phase complexation energies and aqueous-solution complexation free energies with alkali-metal cations are computed for their neutral and deprotonated cases. Consequently, all the molecules are found to energetically favor cation complexations and the preference order is Li$$^+>$$ + > Na$$^+>$$ + > K$$^+>$$ + > Rb$$^+>$$ + > Cs$$^+$$ + for all conditions, indicating no specific Cs selectivity but strong binding with all alkali cations. Comparing complexation stabilities among these metabolites, lecanoric and protocetraric acids seen in medullary layer are found to keep higher affinity in their neutral case, while (+)-usnic acid and atranorin in upper cortex exhibit rather strong affinity only in deprotonated cases through forming stable six atoms’ ring containing alkali cation chelated by two oxygens. These results suggest that the medullary layer can catch all alkali cations in a wide pH range around the physiological one, while the upper cortex can effectively block penetration of metal ions when the metal stress grows. Such insights highlight a physiological role of metabolites like blocking of metal-cation migrations into intracellular tissues, and explain long-term retention of alkali cations including Cs in lichens containing enough such metabolites to bind them.


2017 ◽  
Vol 137 (11) ◽  
pp. 626-631 ◽  
Author(s):  
Yuki Fuchi ◽  
Ryota Nakasako ◽  
Masahiro Kozako ◽  
Masayuki Hikita ◽  
Nobuhito Kamei

1980 ◽  
Vol 45 (2) ◽  
pp. 475-481
Author(s):  
Slavomír Bystrický ◽  
Tibor Sticzay ◽  
Igor Tvaroška

Conformational mobility of tetruloses, 2-pentuloses, D-3-pentulose and 4-deoxy-L-pentulose was studied by measuring temperature dependences of CD spectra in the region +40°C to -140°C in a methanol-ethanol (1:4) mixture. The changes in spectra reflect the population of rotamers around bonds to the carbonyl chromophore. The most stable conformers were determined by PCILO quantum chemical calculation.


Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 442
Author(s):  
Oleg V. Mikhailov

As known, the concept of “cluster” is collective and includes substances that are quite diverse in composition and chemical structure [...]


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