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基于纳米热力学理论分析了钢液中非金属夹杂物的形核过程,建立了夹杂物形核的纳米热力学计算模型。通过考虑晶核尺寸对钢液-晶核界面能的影响,推导了钢液-晶核界面能与晶核尺寸之间的关系式;进一步分析晶核尺寸对晶核溶解度的影响,获得了考虑晶核尺寸因素的夹杂物形核过程总Gibbs自由能变化关系式;在此基础上,获得了基于纳米热力学的夹杂物临界晶核半径计算公式。以Al2O3夹杂为例,分别采用纳米热力学和经典形核热力学公式计算了临界晶核半径。结果表明:在相同条件下,基于纳米热力学计算得到的临界晶核半径值均大于经典热力学计算得到的临界晶核半径值;对于用铝终脱氧的一般情况,纳米热力学计算得到Al2O3夹杂物的临界晶核半径为1.40～2.72nm,经典热力学计算值为1.02～1.69nm。研究结果目前难以直接采用试验证实,但可从有关纳米体系热力学研究文献结果得到间接验证。
Based on the theory of nano-thermodynamics, the nucleation process of non-metallic inclusions in molten steel was analyzed and the calculation model of nano-thermodynamics of inclusions nucleation was established. By considering the effect of nucleation size on the interfacial energy of molten steel and nucleus, the relation between the interfacial energy and nucleation size of molten steel is deduced. The influence of nucleation size on the solubility of nuclei is further analyzed. Based on this, the formula of the critical nucleus radius of inclusions based on the thermodynamics of nanometer thermodynamics was obtained. Taking Al2O3 inclusions as an example, the critical nuclei radii were calculated by using the thermodynamics of nano-thermodynamics and classical nucleus thermodynamics respectively. The results show that under the same conditions, the critical crystal nuclei radius values calculated based on the thermodynamics of nanometer are larger than the critical crystal nucleus radius values calculated by the classical thermodynamics. For the general case of aluminum final deoxidation, the critical value of the Al2O3 inclusions is obtained by the nano-thermodynamics calculation The nucleus radius is 1.40 ~ 2.72nm, the classical thermodynamic calculated value is 1.02 ~ 1.69nm. At present, the results are hard to test directly, but indirect verification can be obtained from the literature about the thermodynamics of nanoscale systems.