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The application of molecular simulation in ash chemistry of coal

Chinese Journal of Chemical Engineering 2020年第11期28卷 2723-2732页

作者： Xin Dai Jin Bai Ping Yuan Shiyu Du Dongtao Li XiaodongWen Wen Li Beijing Key Laboratory of Green Recyclable Process for Iron&Steel Production Technology Beijing 100043China Shougang Group Research Institute of Technology Beijing 100043China State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China Shanxi Research Institute for Clean Energy Tsinghua UniversityTaiyuan 030032China Engineering Laboratory of Specialty Fibers and Nuclear Materials Institute ofMaterial TechnologiesNingbo Institute ofMaterials Technology&EngineeringChinese Academy of SciencesNingbo 315000China

One of the crucial issues in modern ash chemistry is the realization of efficient and clean coal ***,large-scale coal gasification technology is well known as the foundation to improve the atom *** practice,the coal ash fusibility is a critical factor to determine steady operation standards of the gasifier,which is also the significant criterion to coal species selection for *** coal behaviors are resultant from various evolutions in different scales,the multi-scale understanding of the ash chemistry is of significance to guide the fusibility adjustment for coal *** important roles of molecular simulation in exploring ash chemistry,this paper reviews the recent studies and developments on modeling of molecular systems for fusibility related ash chemistry for the first *** discussions are emphasized on those performed by quantum mechanics and molecular mechanics,the two major simulation methods for microscopic systems,which may provide various insights into fusibility *** review article is expected to present comprehensive information for recent molecular simulations of coal chemistry so that new clues to find strategies controlling the ash fusion behavior can be obtained.

关键词： Coal ash fusibility Molecular simulation Quantum mechanics Ash fusion temperature Viscosity

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Potential of Some Granites from Foumban (West Region of Cameroon) as Fluxing Materials for Ceramics

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Journal of Minerals and Materials Characterization and Engineering 2020年第5期8卷 353-363页

作者： Njimbouombouo Mouliom Soualiou Etone Macka Alexandre Dodo Ondoua Abondo Ebengue Yannick Che Randy Nangah Njoya André Mouncherou Oumar Farouk Ndigui Billong University of Yaounde I Yaounde Cameroon

This study focuses on the mineralogical, geochemical and petrographic characterization of three granite rock samples (LTP, LTS and LTMB) from Foumban, West Region of Cameroon. fusibility tests were carried out on the samples containing the highest amount of alkali to assess the potential of these materials as fluxing admixture for ceramics. The results show that the granite consists of alkaline feldspars, notably orthoclase and microcline of perthitic micro-texture, plagioclases (in particular albite) and also mafic minerals such as amphibole and pyroxene. The quantity of alkali in the samples is quite high (16.83% for LTS, 17.08% for LTMB and 18.87% for LTP) compared to standard data. fusibility tests carried out on the samples having the highest alkali content (LTMB and LTP) showed that the vitreous phase appears between 1050°C and 1100°C in these samples when they were heated. The Fe2O3 and TiO2 content of LTMB (3.01% and 1.49% respectively) led to a brown colour of its fired product. Therefore, based on their composition, these materials can be used as feldspathic fluxes for the formulation of ceramic products.

关键词： Feldspars Granite Characterization fusibility Ceramics Foumban Cameroon

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