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OA
Effect of calcium-sodium composite flux on ash fusibility and mineral transformation of Pingshuo coal
本论文研究了钙钠复合助剂对平朔高灰熔点煤灰熔融特性的影响,利用X射线衍射(XRD)、FactSage等手段分析了高温下矿物质的演化行为,并结合分子动力学模拟从微观层面揭示了钙钠复合助熔剂对熔融机制的影响.结果表明,平朔煤灰的硅铝比(Si/Al)接近1.0,硅铝总量接近90%.添加20%的钙钠复合助熔剂后煤灰的熔融温度均低于添加等量CaO、Na2O的熔融温度,说明钙钠复合对煤灰熔融特性的影响存在协同作用.当钙钠比(CaO/Na2O)为3∶7,平朔煤灰的流动温度最低,分别降至1377和1279℃.高温下石英与Na2O、CaO反应生成霞石、钠长石、钙黄长石等低熔点矿物,抑制莫来石的生成,而且形成低温共熔物.此外,由于Na+的扩散性高,破坏硅酸盐网络结构,诱导Ca2+优先配位[AlO4]5-,进一步破坏Si-O-Si网络.添加钙钠复合助熔剂显著增强了高温下煤灰中原子扩散能力,1600 K以下的均方根位移(MSD)显著高于添加CaO、Na2O的MSD值.
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.
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
中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001||中国科学院大学,北京 100049中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中煤平朔集团有限公司,山西朔州 036000中煤平朔集团有限公司,山西朔州 036000中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001中国科学院山西煤炭化学研究所煤炭高效低碳利用全国重点实验室,山西太原 030001
化学化工
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
coal gasificationPingshuo high-AFTs coalcalcium-sodium composite fluxash fusibilitymineral transformation
《燃料化学学报(中英文)》 2026 (4)
29-44,16
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
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