Zhe Wang

2 Questions 2 Answers 0 Followers

Questions related from Zhe Wang

Entropy of water of crystallization?

Hi, I would like to compute the standard molar entropy of some hydrated crystals using ab initio methods. I tried using the Phonopy package on the zeolite analcime (NaAlSi2O6·H2O), but the...

11 June 2020 942 0 View

Standard molar entropy of hydrated zeolites

Hi, I am recently researching on calculating the standard molar entropy of zeolites. I used VASP and the Phonopy package. The results for DEHYDRATED zeolites work reasonably well compared to...

01 January 1970 8,095 0 View