QUANTUM CHEMICAL STUDY ON THE REACTION OF PYRITE WITH NITRIC ACID+
来源期刊：中南大学学报(英文版)1995年第1期
论文作者：Yang Tianzu Zhao Tiancong Lu Yiyuan
文章页码：25 - 28
Key words：pyrite; nitric acid; quantum chemistry
Abstract: The reaction of pyrite with nitric acid was studied using CNDO/2 method. Strong coordinate bond and back π bond between Pe2+and are formed in pyrite. In nitric acid solution when acts on the surface of pyrite the total energy of the system and the Mulliken bond orders of S-S and Fe-S bonds decrease. As a result pyrite is easy to be decomposed.
Yang Tianzu; Zhao Tiancong; Lu Yiyuan
(Department of Nonferrous Metallurgy, Central South University of Technology, Changsha, 410083, China)
Abstract:The reaction of pyrite with nitric acid was studied using CNDO/2 method. Strong coordinate bond and back π bond between Pe2+and are formed in pyrite. In nitric acid solution when acts on the surface of pyrite the total energy of the system and the Mulliken bond orders of S-S and Fe-S bonds decrease. As a result pyrite is easy to be decomposed.
Key words:pyrite; nitric acid; quantum chemistry
