Journal of Central South University (Science and Technology) Aug (CPC) CPC

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1 44 8 ( ) Vol.44 No Journal of Central South University (Science and Technology) Aug CPC ( ) (CPC) CPC 2 mmol/l ph 73.2% ph 7.0 CPC 40% CPC CPC cm cm 1 CH 3 CH 2 CPC CPC CPC CPC (100) (010) kj/mol kj/mol CPC TD913 A (2013) Adsorption behavior of CPC on molybdite surface and molecular dynamics simulation WANG Zhen 1, SUN Wei 2, XU Longhua 1, XIAO Junhui 1, LIU Ruohua 2 (1. Key Laboratory of Solid Waste Treatment and Resource Recycle, Ministry of Education, Southwest University of Science and Technology, Mianyang , China; 2. School of Mineral Processing and Bioengineering, Central South University, Changsha , China) Abstract: The research on the flotation performance of cetylpyridinium chloride(cpc) was carried out. And the adsorption mechanism of CPC as a new collector on molybdite and apatite was discussed. Flotation experiments results show that the influence of ph value on molybdite flotation is weak and the recovery of molybdite can be up 73.2% with 2 mmol/l CPC as collector. It is also found that CPC has a poor collecting property for apatite and the recovery of apatite is less than 40% in the ph value range of The conclusion that collecting ability of CPC on molybdite is greater than that on apatite in the low ph value range was obtained. After reacting with CPC and tartaric acid, FTIR spectra of minerals arise two adsorption peaks (at cm 1 and cm 1 ), which indicates that both tartaric acid and CPC absorb on the mineral surfaces by physical adsorption. Besides, the adsorption of CPC on the molybdite is more powerful than that on apatite while tartaric acid inhibits the adsorption of CPC on apatite more obviously. The adsorption models of flotation reagent on the cleavages of minerals were studied by the molecular dynamics simulation using Materials Studio 5.0 program. It is found that the adsorption energies of CPC cation on the molybdite (100) surface and apatite (010) surface are kj/mol and kj/mol, respectively, which indicates that the adsorption of CPC cation on molybdite is easier than that on apatite. Key words: Ni-Mo ore; molybdite; cetylpyridinium chlorde; flotation; molecular dynamics simulation ( 863 ) (2007AA06Z129) (1973 ) sunmenghu@126.com

2 8 CPC 3103 [1] 3 [2] 0.2%~8% 0.2%~0.7% [3] [4] 800 1% 8% MoO 3 MoS 2 [5] 4%, 7% 80% [6] ` TSN-1 [7] Blashale 9 % 82% [8] 93% 20 g/t BY g/t TPNB XRD MoO 3 MoO 3 45% [9] (CPC) (100) (010) CPC (MoO %) (Ca 5 (PO 4 ) 3 F 99.0%) 74 μm 38 μm NaOH HCl ph 1.2 XFG r/min 2.0 g 40 ml 35 ml 1 min HCl NaOH ph 2 min CPC 3 min 4 min μm 2 μm 35 ml 5 min NEXUS ph

3 3104 ( ) 44 CPC 1 CPC ph, ph 2~12 [10] CPC 73% ph(2~7), ph (ph 8), [11] CPC, ph 12 CPC 80% 2 CPC 2.2 CPC 1.6 mmol/l 2.2 mmol/l % 75%, 25%~45% ph [12] CPC ph CPC ph Fig. 1 Effect of ph on flotation recovery of molybdite and apatite ph Fig. 3 Effect of ph on inhibited performance of tartaric acid CPC Fig. 2 Effect of dosage of CPC on flotation recovery of molybdite and apatite Fig. 4 Effect of dosage of tartaric acid on flotation recovery of molybdite and apatite

4 8 CPC mg/l CPC 16% CPC CPC cm cm 1 CH 2 CH [13] 3 CPC CPC CPC 6 CPC CPC 4 ++CPC 6 CPC Fig. 6 FTIR spectra of apatite and apatite treated with CPC and tartaric acid 3 CPC [14] (100) (010) [15] DMol3 CPC Discover Intel(R)Xeon(R) E5420@ 2.50GHz 16GB 7 CPC 7 CPC, CPC 4 ++CPC 5 CPC Fig. 5 FTIR spectra of molybdite and molybdite treated with CPC and tartaric acid 7 CPC Fig. 7 Charged cation of CPC

3106 ( ) 44 CPC 1 CPC Table 1 Adsorption energy of CPC on crystal

reagent ΔE CPC 8(b) 8(d) 244 654.68 1 003 335.17 244 704.

16 CPC CPC MoO 2 4 HMoO 4 [17] CPC 4 (a) CPC (100) (b) CPC (100)

8 Absorption of CPC on surface of molybdite and apatite DISCOVER

E total E reagent CPC E surface ΔE ΔE 1 CPC 448.86 kj/mol 420.

(010) (010) CPC (100) [1],,,. [J]., 2007, 23(1): 9 12.

5 3106 ( ) 44 CPC 1 CPC Table 1 Adsorption energy of CPC on crystal surface kj/mol (100) (010) CPC CPC 8(a) 8(c) E total E surface E reagent ΔE CPC 8(b) 8(d) CPC CPC MoO 2 4 HMoO 4 [17] CPC 4 (a) CPC (100) (b) CPC (100) (c) CPC (010) (d) CPC (010) 8 CPC Fig. 8 Absorption of CPC on surface of molybdite and apatite DISCOVER CPC (100) (010) ΔE (1) [16] ΔE=E total (E reagent +E surface ) (1) E total E reagent CPC E surface ΔE ΔE 1 CPC kj/mol kj/mol (1) CPC ph (2) CPC 2 CPC CPC 2 CPC 2 CPC (3) CPC (100) (010) (010) CPC (100) [1],,,. [J]., 2007, 23(1): PI Guanhua, XU Hui, CHEN Baizhen, et al. Studies of recovery of molybdenum from Ni-Mo ore[j]. Hunan Nonferrous Metals, 2007, 23(1): [2],,. [J].

6 8 CPC 3107, 2009, 29(2): ZHU Jun, WANG Yanjyn, LI Yingsheng. Experimental study on leaching of high carbon Ni-Mo ore[j]. Mining and Metallurgical Engineering, 2009, 29(2): [3],,,. [J]., 2012, 22(2): PENG Jun, WANG Xuewen, WANG Mingyu, et al. Extration process of molybdenum and nickel from Ni-Mo ore[j]. The Chinese Journal of Nonferrous Metals, 2012, 22(2): [4],,,. [J]. :, 2011, 42(4): SUN Wei, LIU Jiandong, HU Yuehua, et al. Influent of heat treatment on enrichment of Ni-Mo black ore[j]. Journal of Central South University: Science and Technology, 2011, 42(4): [5],,. :, [P] SUN Wei, HU Yuehua, LIU Jiandong. A pre-processing method of Ni-Mo ore: China, [P] [6],. [J]., 2006, 22(6): CHEN Daixiong, TANG Meilian. Study on dressing concentrate of high carbon Ni-Mo ore[j]. Hunan Nonferrous Metals, 2006, 22(6): [7],. Blashale promoter [J]., 2010, 403: LIU Jiandong, SUN Wei. Flotation performance of new type collector Blashale promoter in Ni-Mo black shale ore[j]. Metal Mine, 2010, 403: [8]. [D]. :, 2009: YANG Zhilu. Basic research of cleaning flotation technology of low grade black shaly Ni-Mo ore[d]. Changsha: Central South University. School of Mineral Processing and Bioengineering, 2009: [9],,,. [J]., 2008, 36(4): ZHANG Gang, ZHAO Zhongwei, HUO Guangsheng, et al. The latest development of the treatment technology for Ni-Mo ores[j]. Rare Metals and Cemented Carbides, 2008, 36(4): [10]. [M]. :, 1994: CHEN Feng. Mineral physics introduction[m]. Beijing: Science Press, 1994: [11]. [M]. :, 1979: Nanjing Geology School. Mineralogy[M]. Beijing: Geological Publishing House, 1979: [12],,,. [J]., 2005, 29(3): WANG Yuhua, YU Fushun, CHEN Xinghua, et al. Flotation experimental research of separation of Spodumene and beryl[j]. Rare Metals, 2005, 29(3): [13] Kou J, Tao D, Xu G. Fatty acid collectors for phosphate flotation and their adsorption behavior using QCM-D[J]. International Journal of Mineral Processing, 2010, 95(1/2/3/4): 1 9. [14] FA Keqing, Nguyen A V, Jan Miller D. Interaction of calcium dioleate collector colloids with calcite and fluorite surfaces as revealed by AFM force measurements and molecular dynamics simulation[j]. International Journal of Mineral Processing, 2006, 81(3): [15]. [M]. :, 1999: CAI Aili. Mineralogy[M]. Beijing: Geological Publishing House, 1999: [16],,,. Fe(001) [J]., 2010, 26(5): ZHANG Jun, YU Weizhao, YAN Youguo, et al. Molecular Dynamics Simulation of adsorption behavior of Imidazoline inhibitor on Fe(001)surface[J]. Acta Physico-Chimica Sinica, 2010, 26(5): [17] Ryzhenko B N. Technology of groundwater quality prediction: 1Eh-pH diagram and detention coefficient of molybdenum and tungsten in aqueous solutions[j]. Geochemistry International, 2010, 48(4): ( )

Collect mechanisms of oleic acid on fluorite and calcite minerals Dong LIN 1,a Guanghua NIE 1,2,b* Guoju LUO 1,c Zhipeng TANG 1,d

3rd International Conference on Mechatronics and Information Technology (ICMIT 2016) Collect mechanisms of oleic acid on fluorite and calcite minerals Dong LIN 1,a Guanghua NIE 1,2,b* Guoju LUO 1,c Zhipeng