燃料化学学报（中英文）2026，Vol.54Issue(4)：29-44,16.DOI:10.3724/2097-213X.2025.JFCT.0029
钙钠复合助熔剂对平朔高灰熔点煤灰熔融特性和矿物质演化的影响
Effect of calcium-sodium composite flux on ash fusibility and mineral transformation of Pingshuo coal
摘要
Abstract
In this paper,we investigated the effect of calcium-sodium composite flux on the ash fusibility of Pingshuo coal with high ash fusion temperatures.X-ray diffraction(XRD)and FactSage were used to analyze the mineral transformation behavior at high temperature.Combined with molecular dynamics simulations,the effect of calcium-sodium composite flux on the melting mechanism was revealed at the molecular level.The results showed that the silicon-aluminum ratio(Si/Al mass ratio)of Pingshuo coal ash with high ash fusion temperatures(AFTs)were approximately 1.0,with the total silicon-aluminum content(Si+Al,mass sum)about 90％.When the addition of calcium-sodium composite flux(CaO and Na2O)was 20％,the AFTs of coal ash with the addition of calcium-sodium composite flux were lower than that with the addition of CaO and Na2O,which demonstrates a synergistic effect of the calcium-sodium composite on the fusibility of Pingshuo coal ash.The FT of the two Pingshuo coal ash decreased to 1377 and 1279 ℃ when the calcium-sodium ratio of the composite flux was 3∶7.With the addition of calcium-sodium composite flux,quartz in coal ash reacted with Na2O and CaO to form low melting point minerals such as nepheline,melilite,gehlenite,inhibiting the formation of mullite.The formation of low eutectic minerals occurred among anorthite,albite,nepheline and other minerals.Besides,the ordered structural was disrupted by the high diffusivity of Na+,inducing the preferential coordination of Ca2+with[AlO4]5-tetrahedra.As a result,the Si-O-Si network of coal ash at high temperatures was further broken.The addition of calcium-sodium composite flux significantly enhanced atomic diffusion capabilities within coal ash at high temperatures.The values of mean square displacement(MSD)were higher than those with the additions of Na2O and CaO.关键词
煤气化/平朔高灰熔点煤/钙钠复合助熔剂/煤灰熔融特性/矿物质演化Key words
coal gasification/Pingshuo high-AFTs coal/calcium-sodium composite flux/ash fusibility/mineral transformation分类
化学化工引用本文复制引用
张琪慧,李文,高龙飞,郭振兴,孔令学,李怀柱,曹炀,王坤,白进,白宗庆..钙钠复合助熔剂对平朔高灰熔点煤灰熔融特性和矿物质演化的影响[J].燃料化学学报（中英文）,2026,54(4):29-44,16.基金项目
Supported by National Natural Science Foundation of China(U23A20129,U23B20170,22578470,22508401),Joint Funding Project of Shanxi Basic Research Program(Lu'an)(202403011241007).国家自然科学基金(U23A20129,U23B20170,22578470,22508401)和山西省基础研究计划联合资助项目(潞安)(202403011241007)资助 （U23A20129,U23B20170,22578470,22508401）
