To investigate the media role in the process of gypsum rotating crystal, computer simulation is used in the research process. Both the crystalline type of gypsum crystal and the attachment energy of its main crystal planes have been calculated using attachment energy ( AE) model. Meanwhile, the chemical reactions between the habit modifiers (citric acid, edetic acid, and phenylglycin)and gypsum crystal (1 2-1) , (0 1 1) surfaces, have also been simulated to abtain both the adsorption energy between habit modifier and gypsum crystal surface, and the optimum combination of habit modifiers. The simulation results are consistent well with the experimental results. Furthermore, the gypsum crystal shape has been investigated using scanning electron microscope. The flexural strength and compressive strength of phosphogypsum are measured with different habit modifiers. The maximum values of flexural strength and compressive strength are 3.64 MPa and 7.35 MPa, respectively.%为了研究媒晶剂在石膏晶体转晶过程中的作用,同时探讨计算机模拟在研究过程中的应用,本文利用吸附能模型计算了石膏晶体晶型以及主要晶面的附着能,同时模拟了柠檬酸、乙二胺四乙酸和苯基甘氨酸3种媒晶剂与石膏晶面(12-1)和(011)反应,得出了媒晶剂与石膏晶面的吸附能及媒晶剂的最佳组合方式.利用扫描电子显微镜对实验所得石膏晶型进行了分析,并测得不同媒晶剂作用下磷石膏抗折抗压强度.研究发现,实验结果与计算机模拟结果基本一致,磷石膏最大抗折抗压强度分别为3.64和7.35 MPa.
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