MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM
-
Abstract
The partial RDF, the partial molar energy of mixing and the diffusion coefficient of Li+, K+, F- and Cl- of LiF-KCl(1:l) system have been calculated by computerized simulation of molecular dynamics method. The results are in agreement with the experimental values. The regularities about the local structure are discussed based on the results of calculation.
Article Text
-
-
-
About This Article
Cite this article:
SHAO Jun, SHU Guangyu, XU Hua, CHEN Nianyi. MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM[J]. Chin. Phys. Lett., 1989, 6(10): 448-450.
|
SHAO Jun, SHU Guangyu, XU Hua, CHEN Nianyi. MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM[J]. Chin. Phys. Lett., 1989, 6(10): 448-450.
|
SHAO Jun, SHU Guangyu, XU Hua, CHEN Nianyi. MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM[J]. Chin. Phys. Lett., 1989, 6(10): 448-450.
|
SHAO Jun, SHU Guangyu, XU Hua, CHEN Nianyi. MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCI(1:l) SYSTEM[J]. Chin. Phys. Lett., 1989, 6(10): 448-450.
|
DownLoad: