42 5 Vol.42 No JournalofChinaUniversityofMining & Technology Sep.2013 DTAC 1, 2, 1, 1 1 1, (1., ; 2., ) : Zeta MaterialsStudio (D

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1 42 5 Vol42 No JournalofChinaUniversityofMining & Technology Sep2013 DTAC ( ; ) : Zeta MaterialsStudio (DTAC) : ph 01~0075 mm ph 90%-0045 mm 10%pH>4(001) ;ph<6(001) (001) (001) DTAC (010)(110) DTAC (001) : ; (DTAC); ; ; :TD913 :A : (2013) TheefectofDTAConflotation ofkaolinitewithdiferentparticlesize XU Long-hua 1 JIANG Hao 2 DONGFa-qin 1 WU Hou-qin 1 WANGZhen 1 XIAOJun-hui 1 (1KeyLaboratoryofSolid WasteTreatmentandResourceRecycleMinistryofEducation SouthwestUniversityofScienceandTechnologyMianyangSichuan621010China; 2SchoolofMineralProcessingandBioengineeringCentralSouthUniversityChangshaHunan410083China) Abstract:Theflotationandadsorption mechanism ofdodecyltrimethylammonium chloride (DTAC)onkaolinitewithdiferentparticlesizewerestudiedbyflotationtestsZetapotential measurementsand MaterialsStudiosimulationTheresultsshowthatwiththeincreasingof phtheflotationrecoveriesofkaolinitedecreaseunderaciditytheflotationrecoveryof mmkaoliniteismorethan90%butthatof-0045mmkaolinitelessthan10% WhenpH>4the(001)surfaceisnegativelychargedandwhenpH<6(001)surfaceisposi- tivelychargedtheresultsfrom moleculardynamicssimulationshowthatthe (001)surface hasastrongerinteractionwithdtacthan(001)surfacewhile(010)and(110)edgeshavea lessinteractionwithdtacthan (001)surface Keywords:kaolinite;DTAC;particlesize;anisotropy;moleculardynamicssimulation [1] [3] [2] : : ( ); ( ) : (1971-) neuxulonghua@163com Tel:

2 5 :DTAC 833 NaOH ph ph 5 min Al 4 [Si 4O 10 ](OH) [4-5] MS(MaterialsStudio)50-CASTEP : Sorption-Univer- (1 1) salforcefield [SiO 4 ] [A1O 4 (OH) 2 ] (001) (001) (001) [SiO 4 ] GHz 16GB (001) [A1O 4 (OH) 2 ] 2 (010) (110) DTAC 21 1 (-0074 mm ) ph mm 0075~010045~ mm 3 ph HClNaOH Fig1 EfectofpulppHonflotationrecoveries (DTAC) ofkaoliniteofdiferentparticlesizewithdtac ph mm 121 XFG 1600r/min 20g 40mL 35 ml 0075~01 mm 20mg 50 ml 100 ml 2 min HCl 10min Ze- ta MS DMol3 Intel(R)Xeon(R)E5420@ DTAC ph 1 minhclnaoh ph 2 min DTAC 3min 4 ph 90% ; 0045~ 0075mm ph=2~4 min 90%pH mm % BECKMAN COULTER CoulterDelsa440sxZeta 2 ph (ph=7 ) DTAC -2μm -

3 mm DTAC 1 mmol/l (-0045 mm) (-0075 mm) [7] 0045~0075 mm mm 2 DTAC Si OH - (1) Fig2 EfectofDTACconcentrationonflotation recoveriesofkaolinitewithdiferentparticlesize Al OH - 22 [6] ph : [9] ph=72 Zeta 3 ( ) 3 zeta ph Fig3 Relationshipbetweenzeta potentialofkaoliniteandph [8] H + OH - Si OH + 2 Al OH Zeta ph Al 3+ Si 4+ (001) (001) SiO 2 SiO 2 ph=3 SiO 2 Al 2O 3 23 DTAC 1 1 SiO 2 (ph [AlO 2 (OH) 4 ] (001) CASTEP GGA+PBESOL k k-point + 2H 幑幐 Si OH - 2OH 幑帯幐 Al OH Si 4+ Al 3+ Fe 3+ Al 3+ Mg 2+ Fe 2+ ph [10] [11] AFM [SiO 4 ] (001) ph>4 ; [AlO 2 (OH) 4 ] (001) ph<6 ph>8 : (001) ph<4 (001) ph=6~8 =3)Al 2O 3 (ph=82) ph=56 MaterialsStudio Sorption SiO 2 DTAC

5 :DTAC 835 10 10-5 ev/atom 34000 2 DTAC ev 1 10-6 Table2 ComputationalresultsofDTAC ev/atom adsorbedonkaolinitesurfaces a=05149nmb=08934nmc= DTAC Z N (/Cel) 07384nm;α =91930 β =1050420 γ = /(kcal

optimizedbydmol3module DTAC (001) Sorption DTAC (001) DTAC DTAC DTAC ( ( 6) DTAC) (001) 1 2 (001) 1 DTAC Sorption Table1 ParametersinSorptionsimulation ofdtacadsorbedonkaolinitesurface / 10000 100000

4 5 :DTAC ev/atom DTAC ev Table2 ComputationalresultsofDTAC ev/atom adsorbedonkaolinitesurfaces a=05149nmb=08934nmc= DTAC Z N (/Cel) 07384nm;α =91930 β = γ = /(kcal mol -1 ) /nm (001) (001) 4 CASTEP N (010)(110) Fig4 Crystalstructureofkaolinite optimizedbycastep module DTAC (001) DMol3 DTAC 5 5 DMol3 DTAC Fig5 StructurechargedofDTAC optimizedbydmol3module DTAC (001) Sorption DTAC (001) DTAC DTAC DTAC ( ( 6) DTAC) (001) 1 2 (001) 1 DTAC Sorption Table1 ParametersinSorptionsimulation ofdtacadsorbedonkaolinitesurface / steps (001) (010) (110) (001) (001) DTAC [12] DTAC N DTAC (001)Z (001) DTAC ph (001) PZC ph <4(001) PZC ph=6~8 PZC =72 (001)(001) [13] (001) (001) 0001kcal/mol 125nm 005nm 125nm 010nm 005nm 6 Fig6 Schematicdiagramofadsorption ofquaternaryammoniumsaltondispersed kaolinitesunderalkalineconditions

5 PZC ph=6~8 PZC=72 ( 7) DTAC (001) 7 (001) (010)(110)DTAC (001) 3) (001) DTAC (001) DTAC (001) (001) (001) (001) (001) Fig7 Schematicdiagramofadsorptionof quaternaryammoniumsaltonagglomerated (001) DTAC kaolinitesunderalkalineconditions : [1] GUPTA VHAMPTON M ASTOKESJRetal Particleinteractionsinkaolinitesuspensionsandcor- 8 responding aggregate structures [J]Journal of L/H L/H ColoidandInterfaceScience (1): [2] L/H NaY [J] L/H (5): JIANG Rong-liCHEN Wen-longZHAO Rui-xianet alhydrothermalsynthesisof NaY molecularsieve fromcoal-serieskaolinbyacid-leachingdealuminiza- tion[j]journalofchina Universityof Mining & Technoloy201241(5): [3] HUANG GZHOU CLIUJEfectsofdiferentfac- torsduringthede-silicationofdiasporebydirectflo- 8 tation[j]internationaljournalofminingscienceand Fig8 Schematicdiagramofbasalplanesandedges Technology201222: [4] [J] : 1)0075~010045~ mm (2): ph LI Hai-puHU Yue-huaWANG Dian-zuoetal 0075~01mm ph Mechanismofinteractionbetweencationicsurfactant 90%-0045mm andkaolin[j]journalofcentralsouthuniversityof 10% Technology200435(2): [5] [M] : 2) 2001:22-23 [6] (001) PZC ph<4 (001) HU YSUN WJIANG HetalTheanomalousbe- haviorofkaoliniteflotation withdodecylaminecol-

6 5 :DTAC 837 lectorasexplainedfrom crystalstructureconsidera- tions[j]internationaljournalofmineralprocessing : [7] LUCKHAM P FROSSISThecoloidalandrheo- logicalpropertiesofbentonitesuspensions[j]ad- vancesincoloidandinterfacescience199982(1/ 3):43-92 [8] ZHAOSWANG DHU YetalTheflotationbe- haviour of N-(3-aminopropyl) -dodecanamide on three aluminosilicates [J]Minerals Engineering : [9] WILLIAMS D JWILLIAMS K PElectrophoresis andzetapotentialofkaolinite[j]journalofcoloid andinterfacescienc197865:79-83 [10] ZHAO HBHATTACHARJEESCHOW Retal Probing surface charge potentials of clay basal planesandedgesbydirectforcemeasurements[j] Langmuir200824: [11] GUPTA VMILLER J DSurfaceforce measure- mentsatthebasalplanesoforderedkaoliniteparti- cles[j]journalofcoloidandinterfacescience : [12] [D] : 2004 [13] GUPTA VHAMPTON M ASTOKESJRetal Particleinteractionsin kaolinite suspensions and correspondingaggregatestructures[j]journalof ColoidandInterfaceScience : ( ) ( 805) gy201241(2): [16] (1):76-80 [J] (2): [18] ARRILEYEEDMORGAN W Detal [M] : ZHANG Guo-huaLIANGBingExperimentalstudy 1996: ofpenetrantsolutionefectsongasdesorption[j] [19] CO2 JournalofChinaUniversityofMining & Technolo- [J] (3):463- [17] / WUJian-guangYEJian-pingTANG Shu-hengA [J] (1):76-80 feasibilitystudyon CO2injectionforenhancingthe ZHOUSheng-guoGUOShu-minTestingtechnolo- coalbedmethanerecovery[j]geologicaljournalof gyofadsorption/desorptionisothermalcurvesfor ChinaUniversities200410(3): coalreservoir[j]experimentalpetroleum Geology 467 ( )

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

44 8 ( ) Vol.44 No.8 2013 8 Journal of Central South University (Science and Technology) Aug. 2013 CPC 1 2 1 1 2 (1. 621010 2. 410083) (CPC) CPC 2 mmol/l ph 73.2% ph 7.0 CPC 40% CPC CPC 2 930 cm 1 2 840