计算溶解度、活度系数时，混合溶剂超过5种怎么办？

可以先设置5种混合溶剂，File → Save as保存作业，然后File → Save runfile得到一个*.run文件，里面类似有如下关于溶质、溶剂的描述（可以看到总共6物质，不过下面列出了8种物质，七种为溶剂、一种为溶质）：

Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/1-Hexene.coskf" 
  frac1 0.1 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/Vinylacetonitrile.coskf" 
  frac1 0.1 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/1,2-Benzene_dicarboxylic_acid,_heptyl,_undecyl_ester.coskf" 
  frac1 0.1 
  nring 6 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/1,1,2,2-Tetrachloroethane.coskf" 
  frac1 0.3 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/1,2-Epoxy-3-phenoxypropane.coskf" 
  frac1 0.2 
  nring 9 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/1-Hexanol.coskf" 
  frac1 0.1 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/Benzene.coskf" 
  nring 6 
End 
Compound "D:/AMS2024.101/Packages/AMS2024.1.packages/adfcrs-gs907vlr/content/ADFCRS-2018/Water.coskf" 
  frac1 0.1 
End 

这里是将溶质、溶剂一起列出来的：

• 每种物质以Compound开头，以End结尾
• frac1描述混合溶剂的摩尔比，没有frac1 数据的，则为溶质（因为这里采用的是无限稀释模型）
• nring描述物质的芳香环数量。这个值在COSMO-RS主窗口 → Compounds → List of all added compounds 的化合物列表中，点击每种物质，右侧的Nring栏目，后面有Generate选项，点击即可生成
• 注意修改溶剂的摩尔比到合适的值，溶质摩尔比加和为1.0

修改完毕，保存，然后在AMSJobs窗口，可以选中该作业，然后Job → Run运行之。结果在SCM → output打开的*.out文件中，类似如下内容：

 Solubility
       component           temperature       (mol/L solvent)         (g/L solvent)      (mol/L solution)        (g/L solution)
               7          298.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          308.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          318.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          328.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          338.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          348.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          358.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          368.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          378.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          388.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     
               7          398.15000000              Infinity              Infinity           14.84276133         1158.43225253
 DENSITY:                Infinity   78.0469501018524        1.00000000000000     

其中DENSITY这一行可以忽略不看，component列显示7表示7种溶剂混合。