摘要
提出计算金属液中活度和活度相互作用系数的模型．据此可以快速、准确地计算出任何三元系金属熔体中除Ｏ，Ｓ，Ｓｅ，Ｔｅ外任何组元的１ｎγ和任何组元间的一级活度相互作用系数ε，ε以及二级活度相互作用系数ρ，ρ，ρ．影响１ｎγ的因素是ｉ（溶质）和ｋ（溶剂）的ｎＷＳ（电子密度）、Φ（电负性）以及ｉ的Ｖ（摩尔体积）值。由模型计算出的１ｎγ值与实验值吻合较好，对铁基合金正负号一致率达９５．７％；影响活度相互作用系数的因素是溶质ｉ和ｊ以及溶剂ｋ的ｎＷＳ，Φ和Ｖ，ε，ε的计算值和实验值基本一致，对液态铁合金正负号一致率达８０％以上．
The calculating models for activity and activity interaction parameter in ternary metallic melts were established.1nγof any element,ε,εand,ρ,ρ,ρbetween any element in any metallic melt could be calculated rapidly and accurately except for O,S,Se and Te.The models could be used in both solid and liquid metallic solutions.The factors to affect 1nγ were the electron density,nWS,electronegativity,Φ,and molar volume,V of solute i and solvent k.The values of 1nγ by calculation were well accordant with those by experiments.The fraction of same sign between calculating values and experiment data for Fe-base alloys reached 95.7%.The factors to affectεandεwere nWS,Φ,V of solute i,j and solvent k.The data by calculation and experiments were basically same.The fraction of same sign was above 80%.The more reliable the experiments,the more the ratio of the same sign.
出处
《金属学报》
SCIE
EI
CAS
CSCD
北大核心
1994年第2期B049-B060,共12页
Acta Metallurgica Sinica
基金
国家自然科学基金
关键词
金属熔体
活度
相互作用系数
模型
ternary metallic melt,activity,activity interaction parameter,model calculation
