采用分析纯试剂CaCO3、Al2O3、SiO2和Na2CO3合成Na2O掺杂铝酸钙熟料，研究Na2O掺杂对铝酸钙化合物形成机理及12CaO·7Al2O3(C12A7)晶体结构的影响。结果表明：当熟料中Na2O含量低于4.26%(质量分数)时，含Na2O物相主要为2Na2O·3CaO·5Al2O3和Na2O·Al2O3；其余Na2O主要掺杂在12CaO·7Al2O3内，并且使其结晶度降低。2Na2O·3CaO·5Al2O3的结晶度也随着熟料中 Na2O 含量升高而降低。2Na2O·3CaO·5Al2O3和12CaO·7Al2O3的生成途径有两种方式：一是由初始反应物的直接反应生成，二是由反应中间产物CaO·Al2O3的进一步转化反应生成。晶体结构模拟结果表明，在Na2O掺杂的12CaO·7Al2O3晶格内，其O—Na键的共价性弱于 O—Ca键和O—Al键的共价性，使12CaO·7Al2O3晶胞自由能升高，化学活性提高。当熟料中Na2O含量由0增加至4.26%时，Al2O3的浸出率由34.81%增大至88.17%。
Calcium aluminate clinkers doped with Na2O were synthesized using analytically pure reagents CaCO3, Al2O3, SiO2 and Na2CO3. The effects of Na2O-doping on the formation mechanism of calcium aluminate compounds and the crystal property of 12CaO·7Al2O3 (C12A7) cell were studied. The results show that the minerals containing Na2O mainly include 2Na2O·3CaO·5Al2O3 and Na2O·Al2O3, when the Na2O content in clinkers is less than 4.26% (mass fraction). The rest of Na2O is mainly doped in 12CaO·7Al2O3, which results in the decrease of the crystallinity of 12CaO·7Al2O3. The crystallinity of 2Na2O·3CaO·5Al2O3 is also inversely proportional to the Na2O content in clinkers. The formation processes of 2Na2O·3CaO·5Al2O3 and 12CaO·7Al2O3 can be divided into two ways, which are the direct reactions of raw materials and the transformation of CaO·Al2O3, respectively. The simulation shows that the covalency of O—Na bond in Na2O-doped 12CaO·7Al2O3 cell is weaker than those of O—Ca and O—Al bonds. The free energy of the unit cell increases because of Na2O doping, which results in the improvement of chemical activity of 12CaO·7Al2O3. The leaching efficiency of Al2O3 in clinker is improved from 34.81% to 88.17% when the Na2O content in clinkers increases from 0 to 4.26%.
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