抑雜劑與離子型稀土礦中鋁雜質(zhì)相互作用的分子動力學(xué)模擬分析
發(fā)布時間：2019-06-12 08:56
【摘要】：稀土是我國的戰(zhàn)略儲備資源,其優(yōu)異的物理化學(xué)性能使其用途非常廣泛。南方風(fēng)化殼淋積型稀土礦自二十世紀(jì)七十年代被發(fā)現(xiàn)以后,人們對它的開采和研究一直不斷。目前采用化學(xué)浸出方式提取稀土,浸出母液中含有雜質(zhì)離子對稀土提煉影響較大,每年由于雜質(zhì)對萃取劑乳化造成的損失達幾千萬,而且影響稀土產(chǎn)品質(zhì)量。本文主要對如何降低浸出母液中鋁離子的含量進行探索試驗,并對抑雜劑與稀土離子進行分子動力學(xué)模擬研究。對磺基水楊酸抑制鋁離子的行為進行分子動力學(xué)模擬。比較發(fā)現(xiàn)鋁離子與磺基水楊酸之間的徑向分布函數(shù)圖中出現(xiàn)的峰值最大,即磺基水楊酸附近出現(xiàn)鋁離子的概率最高,稀土鑭,釔離子出現(xiàn)的概率較低�；腔畻钏釋︿X離子的作用能是-2502 kcal/mol,與鑭離子的作用能是-302 kcal/mol,與稀土釔離子的作用能是-570 kcal/mol。從能量的角度可以得出磺基水楊酸與鋁離子的作用強度明顯比它與稀土離子的作用強度大。分子動力學(xué)計算高嶺石(1 0 0)面與磺基水楊酸的吸附能為-3251 kal/mol,可見它們之間發(fā)生了較強的吸附作用。從它們之間的徑向分布函數(shù)可以看出,磺基水楊酸與高嶺石表面的鋁離子發(fā)生作用。同時表明磺基水楊酸是通過與高嶺石表面的鋁離子發(fā)生作用而吸附在礦物表面。在南方風(fēng)化殼淋積型稀土礦的礦石性質(zhì)研究基礎(chǔ)上,確定稀土常規(guī)浸出最佳條件:試樣質(zhì)量200 g,浸出方式為柱狀淋浸,浸出劑為硫酸銨,浸出劑濃度3%,液固比0.8:1,浸出劑流速1.7 ml/min,礦石高度150 mm,常溫常壓。此時稀土浸出率為95%,浸出液中稀土離子含量為0.45 g/L,鋁離子含量為390 mg/L。通過多種抑制劑的試驗對比,發(fā)現(xiàn)磺基水楊酸,乙酰丙酮,酒石酸對鋁的抑制效果較好,而且對稀土的浸出率影響不大。
[Abstract]:Rare earth is a strategic reserve resource in China, and its excellent physical and chemical properties make it widely used. Since the discovery of leachate rare earth deposits in the seventies of the 20th century, the mining and research of leachate rare earth deposits in southern China have been continuous. At present, the chemical leaching method is used to extract rare earth. The impurity ions in the leaching mother liquor have a great influence on the extraction of rare earth. The annual loss caused by impurities to the emulsification of extractant is tens of millions, and the quality of rare earth products is affected. In this paper, how to reduce the content of aluminum ion in leaching mother liquor was studied, and the molecular dynamics simulation of impurity inhibitor and rare earth ion was carried out. The inhibition of aluminum ion by sulfosalicylic acid was simulated by molecular dynamics. It is found that the peak value of the radial distribution function between aluminum ion and sulfosalicylic acid is the highest, that is, the probability of aluminum ion near sulfosalicylic acid is the highest, and the probability of rare earth lanthanum and yttrium ions is low. The interaction energy of sulfosalicylic acid on aluminum ion is-2502 kcal/mol, with lanthanum ion. The interaction energy between-2502 kcal/mol, and rare earth yttrium ion is-570 kcal/mol.. From the point of view of energy, it can be concluded that the interaction strength between sulfosalicylic acid and aluminum ion is obviously higher than that between sulfosalicylic acid and rare earth ion. The adsorption energy of kaolinite (100) surface and sulfosalicylic acid was calculated by molecular dynamics to be-3251 kal/mol,. It can be seen that there is a strong adsorption between kaolinite (100) surface and sulfosalicylic acid. From the radial distribution function between them, it can be seen that sulfosalicylic acid interacts with aluminum ions on the surface of kaolinite. It is also shown that sulfosalicylic acid is adsorbed on the surface of minerals by interacting with aluminum ions on the surface of kaolinite. Based on the study of ore properties of leachate rare earth ore in southern weathered crust, the optimum conditions of conventional rare earth leaching are determined as follows: sample mass 200g, leaching mode is columnar leaching, leaching agent is ammonium sulfate, leaching agent concentration is 3%, liquid-solid ratio is 0.8 ml/min, leaching agent flow rate is 1.7 mm, at room temperature and atmospheric pressure. At this time, the leaching rate of rare earth is 95%, the content of rare earth ion in the leaching solution is 0.45 g 路L, and the content of aluminum ion is 390 mg/L.. Through the comparison of various inhibitors, it was found that sulfosalicylic acid, acetylacetone and tartaric acid had better inhibitory effect on aluminum, and had little effect on the leaching rate of rare earth.
【學(xué)位授予單位】：江西理工大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2015
【分類號】：TD955
本文編號：2497890
[Abstract]:Rare earth is a strategic reserve resource in China, and its excellent physical and chemical properties make it widely used. Since the discovery of leachate rare earth deposits in the seventies of the 20th century, the mining and research of leachate rare earth deposits in southern China have been continuous. At present, the chemical leaching method is used to extract rare earth. The impurity ions in the leaching mother liquor have a great influence on the extraction of rare earth. The annual loss caused by impurities to the emulsification of extractant is tens of millions, and the quality of rare earth products is affected. In this paper, how to reduce the content of aluminum ion in leaching mother liquor was studied, and the molecular dynamics simulation of impurity inhibitor and rare earth ion was carried out. The inhibition of aluminum ion by sulfosalicylic acid was simulated by molecular dynamics. It is found that the peak value of the radial distribution function between aluminum ion and sulfosalicylic acid is the highest, that is, the probability of aluminum ion near sulfosalicylic acid is the highest, and the probability of rare earth lanthanum and yttrium ions is low. The interaction energy of sulfosalicylic acid on aluminum ion is-2502 kcal/mol, with lanthanum ion. The interaction energy between-2502 kcal/mol, and rare earth yttrium ion is-570 kcal/mol.. From the point of view of energy, it can be concluded that the interaction strength between sulfosalicylic acid and aluminum ion is obviously higher than that between sulfosalicylic acid and rare earth ion. The adsorption energy of kaolinite (100) surface and sulfosalicylic acid was calculated by molecular dynamics to be-3251 kal/mol,. It can be seen that there is a strong adsorption between kaolinite (100) surface and sulfosalicylic acid. From the radial distribution function between them, it can be seen that sulfosalicylic acid interacts with aluminum ions on the surface of kaolinite. It is also shown that sulfosalicylic acid is adsorbed on the surface of minerals by interacting with aluminum ions on the surface of kaolinite. Based on the study of ore properties of leachate rare earth ore in southern weathered crust, the optimum conditions of conventional rare earth leaching are determined as follows: sample mass 200g, leaching mode is columnar leaching, leaching agent is ammonium sulfate, leaching agent concentration is 3%, liquid-solid ratio is 0.8 ml/min, leaching agent flow rate is 1.7 mm, at room temperature and atmospheric pressure. At this time, the leaching rate of rare earth is 95%, the content of rare earth ion in the leaching solution is 0.45 g 路L, and the content of aluminum ion is 390 mg/L.. Through the comparison of various inhibitors, it was found that sulfosalicylic acid, acetylacetone and tartaric acid had better inhibitory effect on aluminum, and had little effect on the leaching rate of rare earth.
【學(xué)位授予單位】：江西理工大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2015
【分類號】：TD955
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