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	Simulation of the adsorption of CaCl/sub 2/ on Mg(OH)/sub 2/ planes
	Qi Wang ; Lan Xiang ; Ying Cai Zhang ; Yong Jin
	2010-10-12 ; 2010-10-12
关键词	Theoretical or Mathematical/ adsorption calcium compounds magnesium compounds/ adsorption universal force field method Mg(OH)/sub 2/ CaCl/sub 2// A6845D Adsorption and desorption kinetics evaporation and condensation A8265M Sorption and accommodation coefficients (surface chemistry)/ MgOH/sur Mg/sur OH/sur H/sur O/sur MgOH/ss Mg/ss OH/ss H/ss O/ss CaCl2/ads Cl2/ads Ca/ads Cl/ads CaCl2/bin Cl2/bin Ca/bin Cl/bin
中文摘要	The adsorption behavior of Ca/sup 2+/ and Cl/sup -/ on Mg(OH)/sub 2/ planes was simulated using Universal Force Field method. The energy, the capacity and the configuration involved in the adsorption process were estimated. The results showed that Ca/sup 2+/ was easier to be adsorbed and incorporated on the (001) plane than other planes such as (100), (101) and (110) planes. The incorporation of Cl/sup -/ in Mg(OH)/sub 2/ was difficult since the radius for Cl/sup -/ is much bigger than that of OH/sup -/. The adsorption of Ca/sup 2+/ on (001) plane at elevated temperature may inhibit the growth along [001] direction, leading to occurrence of the (001) plane, the shrinkage of the (101) and (110) planes and the formation of Mg(OH)/sub 2/ plates with bigger ratios of diameter to thickness.
语种	英语
出版者	Springer Netherlands ; Netherlands
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/79577]
专题	清华大学
推荐引用方式 GB/T 7714	Qi Wang,Lan Xiang,Ying Cai Zhang,et al. Simulation of the adsorption of CaCl/sub 2/ on Mg(OH)/sub 2/ planes[J],2010, 2010.
APA	Qi Wang,Lan Xiang,Ying Cai Zhang,&Yong Jin.(2010).Simulation of the adsorption of CaCl/sub 2/ on Mg(OH)/sub 2/ planes..
MLA	Qi Wang,et al."Simulation of the adsorption of CaCl/sub 2/ on Mg(OH)/sub 2/ planes".(2010).

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