| 查看: 389 | 回复: 1 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】关于溶剂化自由能的问题
|
|||
|
下面是我找到的部分资料 Experimentally, a difference in free energy is determined either from the relative probability of finding the system in a given state, or from the reversible work required to transform the system from one initial state into another. computationally, the thermodynamic integration method, The integration can be performed continuously while slowly changing the coupling parameter λ from λA to λB during the simulation (the so-called slow growth method ). 我用的是 thermodynamic integration method 来计算溶剂化能,我想问以下,这个溶剂化自由能,能否表示把溶质从真空移动到水中所做的功? 我能否认为 对于不容的溶质,他们的溶剂化自由能越大,溶解所做的功越多,越不容易溶解在水中呢?请大家帮忙谢谢了.......... [ Last edited by lei0736 on 2009-11-24 at 21:34 ] |
回复此楼» 猜你喜欢
面上有专家说实验设备不是我们单位的
已经有7人回复
-
科研求助
已经有4人回复
-
博士去二本高校当辅导员，如何调整心态？
已经有11人回复
-
江苏省自然基金 什么时候出结果
已经有6人回复
-
闲聊
已经有3人回复
-
初秋的晨风
已经有6人回复
没有人回复 2楼2009-08-26 09:38:35