Understanding the flocculation mechanism of quartz and kaolinite with polyacrylamide in seawater: A molecular dynamics approach

Gonzalo R. Quezada1, Matías Jeldres2,3, Norman Toro4, Pedro Robles5, Pedro G. Toledo6, Ricardo I. Jeldres3
1Water Research Center for Agriculture and Mining (CRHIAM), Universidad De Concepción, Concepción, 4030000, Chile
2Faculty of Engineering and Architecture, Universidad Arturo Prat, Almirante Juan José Latorre 2901, Antofagasta, Chile
3Departamento De Ingeniería Química y Procesos De Minerales, Facultad De Ingeniería, Universidad De Antofagasta, 1240000 Antofagasta, Chile
4Departamento De Ingeniería Metalúrgica y Minas, Universidad Católica Del Norte, Av. Angamos 610, Antofagasta 1270709, Chile
5Escuela De Ingeniería Química, Pontificia Universidad Católica De Valparaíso, 2340000 Valparaíso, Chile
6Chemical Engineering Department and Surface Analysis Laboratory (ASIF), Universidad De Concepción, PO Box 160-C, Correo 3, Concepción, 4030000, Chile

Tài liệu tham khảo

Cisternas, 2018, The use of seawater in mining, Miner. Process. Extr. Metall. Rev., 10.1080/08827508.2017.1389729 Castellón, 2020, Depression of pyrite in seawater flotation by guar gum, Metals (Basel)., 10.3390/met10020239 Hirajima, 2016, Effect of Mg2+ and Ca2+ as divalent seawater cations on the floatability of molybdenite and chalcopyrite, Miner. Eng., 10.1016/j.mineng.2016.06.023 Jeldres, 2017, The impact of seawater with calcium and magnesium removal for the flotation of copper-molybdenum sulphide ores, Miner. Eng., 10.1016/j.mineng.2017.02.003 Li, 2018, Fundamental studies of shmp in reducing negative effects of divalent ions on molybdenite flotation, Minerals, 10.3390/min8090404 Qiu, 2016, Understanding the roles of high salinity in inhibiting the molybdenite flotation, Colloids Surfaces A Physicochem. Eng. Asp., 10.1016/j.colsurfa.2016.08.059 Quezada, 2020, Analysis of the flocculation process of fine tailings particles in saltwater through a population balance model, Sep. Purif. Technol., 237, 10.1016/j.seppur.2019.116319 Cruz, 2019, Using partial desalination treatment to improve the recovery of copper and molybdenum minerals in the Chilean mining industry, Ind. Eng. Chem. Res. acs.iecr., 9b00821, 10.1021/acs.iecr.9b00821 Arias, 2020, Partial desalination of seawater for mining processes through a fluidized bed bioreactor filled with immobilized cells of Bacillus subtilis LN8B, Desalination, 482, 114388, 10.1016/j.desal.2020.114388 Jeldres, 2020, Enhancing the sedimentation of clay-based tailings in seawater by magnesium removal treatment, Sep. Purif. Technol., 116762, 10.1016/j.seppur.2020.116762 Ramos, 2020, Seawater flocculation of clay-based mining tailings: impact of calcium and magnesium precipitation, Miner. Eng., 10.1016/j.mineng.2020.106417 Girod, 1988, Adsorption of partially hydrolyzed polyacrylamides on titanium dioxide, J. Colloid Interface Sci., 10.1016/0021-9797(88)90430-4 Lecourtier, 1990, Adsorption of polyacrylamides on siliceous minerals, Colloids Surf., 10.1016/0166-6622(90)80074-E Lee, 1991, Adsorption of polyacrylamides on the different faces of kaolinites, J. Colloid Interface Sci., 10.1016/0021-9797(91)90167-7 Graveling, 1997, Controls on polyacrylamide adsorption to quartz, kaolinite, and feldspar, Geochim. Cosmochim. Acta, 10.1016/S0016-7037(97)00175-0 Dalton, 2002 Abdel-Azeim, 2018, Dynamics, aggregation, and interfacial properties of the partially hydrolyzed polyacrylamide polymer for enhanced oil recovery applications: insights from molecular dynamics simulations, Energy Fuels, 10.1021/acs.energyfuels.8b00010 Gao, 2013, Viscosity of partially hydrolyzed polyacrylamide under shearing and heat, J. Pet. Explor. Prod. Technol., 10.1007/s13202-013-0051-4 Quezada, 2019, Molecular dynamics simulations of the conformation and diffusion of partially hydrolyzed polyacrylamide in highly saline solutions, Chem. Eng. Sci., 115366 Zhang, 2016, Influence of hydrolyzed polyacrylamide (hpam) molecular weight on the cross-linking reaction of the HPAM/Cr3+ System and transportation of the HPAM/Cr3+ system in microfractures, Energy Fuels, 10.1021/acs.energyfuels.6b02230 Argyris, 2009, Dynamic behavior of interfacial water at the silica surface, J. Phys. Chem. C., 10.1021/jp906150n Dellostritto, 2014, Density functional theory simulation of hydrogen-bonding structure and vibrational densities of states at the quartz (1 0 1)-water interface and its relation to dissolution as a function of solution pH and ionic strength, J. Phys. Condens. Matter, 10.1088/0953-8984/26/24/244101 Kroutil, 2015, Computer simulations of quartz (101)-water interface over a range of pH values, J. Phys. Chem. C., 10.1021/acs.jpcc.5b00096 Quezada, 2017, Molecular dynamics simulations of quartz (101)-Water and corundum (001)-Water interfaces: effect of surface charge and ions on cation adsorption, water orientation, and surface charge reversal, J. Phys. Chem. C, 121, 10.1021/acs.jpcc.7b08836 Skelton, 2011, Simulations of the quartz(10̄11)/water interface: a comparison of classical force fields, Ab initio molecular dynamics, and x-ray reflectivity experiments, J. Phys. Chem. C., 10.1021/jp109446d Quezada, 2019, Ab initio calculations of partial charges at kaolinite edge sites and molecular dynamics simulations of cation adsorption in saline solutions at and above the pH of zero charge, J. Phys. Chem. C, 123, 10.1021/acs.jpcc.9b05339 Balducci, 2017, Recent progress in the synthesis of nanostructured magnesium hydroxide, CrystEngComm., 10.1039/C7CE01570D Zhang, 2014, Simulation of magnesium hydroxide surface and interface, J. Alloys. Compd. Lee, 2013, Adsorption of β-d-glucose and cellobiose on kaolinite surfaces: density functional theory (DFT) approach, Appl. Clay Sci., 10.1016/j.clay.2012.11.002 Liu, 2015, Investigation of dodecylammonium adsorption on mica, albite and quartz surfaces by QM/MM simulation, Mol. Phys., 10.1080/00268976.2015.1029551 Oren, 2010, Probing the molecular mechanisms of quartz-binding peptides, Langmuir., 10.1021/la100049s Turesson, 2011, Calcium mediated polyelectrolyte adsorption on like-charged surfaces, Langmuir., 10.1021/la2030846 Quezada, 2018, Use of molecular dynamics to study the conformation of an anionic polyelectrolyte in saline medium and its adsorption on a quartz surface, Miner. Eng., 129, 10.1016/j.mineng.2018.09.025 Kyoda, 2019, Using focused beam reflectance measurement (FBRM) to monitor aggregate structures formed in flocculated clay suspensions, Miner. Eng., 138, 148, 10.1016/j.mineng.2019.04.045 Zeitler, 2014, Vibrational analysis of brucite surfaces and the development of an improved force field for molecular simulation of interfaces, J. Phys. Chem. C., 10.1021/jp411092b Dai, 2018, The interface interaction behavior between E. Coli and two kinds of fibrous minerals, Environ. Sci. Pollut. Res., 10.1007/s11356-017-0654-2 Estrada, 2017, Cooperative and inhibited Adsorption of d -Ribose onto Brucite [Mg(OH)2] with Divalent Cations, ACS Earth Sp. Chem., 10.1021/acsearthspacechem.7b00095 Goloub, 1996, Adsorption of cationic surfactants on silica. Surface charge effects, Langmuir., 10.1021/la9505475 Gupta, 2011, Particle interactions in kaolinite suspensions and corresponding aggregate structures, J. Colloid Interface Sci., 10.1016/j.jcis.2011.03.043 Chen, 2019, Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations, Appl. Surf. Sci. Quezada, 2019, Structure of the interface between Lithium-Rich Spodumene and saltwater by density functional theory calculations and molecular dynamics simulations, J. Phys. Chem. C, 124, 1446, 10.1021/acs.jpcc.9b10074 Sorin, 2005, Exploring the helix-coil transition via all-atom equilibrium ensemble simulations, Biophys. J., 10.1529/biophysj.104.051938 Cygan, 2004, Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field, J. Phys. Chem. B, 10.1021/jp0363287 Pouvreau, 2017, Structure of hydrated gibbsite and brucite edge surfaces: DFT results and further development of the ClayFF classical force field with Metal-O-H angle bending terms, J. Phys. Chem. C, 121, 14757, 10.1021/acs.jpcc.7b05362 Berendsen, 1987, The missing term in effective pair potentials, J. Phys. Chem., 10.1021/j100308a038 Miyamoto, 1992, Settle: an analytical version of the SHAKE and RATTLE algorithm for rigid water models, J. Comput. Chem., 10.1002/jcc.540130805 Li, 2015, Systematic parameterization of monovalent ions employing the nonbonded model, J. Chem. Theory Comput. Darden, 1993, Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems, J. Chem. Phys., 10.1063/1.464397 Bussi, 2007, Canonical sampling through velocity rescaling, J. Chem. Phys., 10.1063/1.2408420 Zhang, 2015, Atomistic simulation of defected magnesium hydroxide as flame retardants, Trans. Nonferrous Met. Soc. China (English Ed., 10.1016/S1003-6326(15)64058-4 Boudaira, 2016, Preparation and characterization of membrane supports for microfiltration and ultrafiltration using kaolin (DD2) and CaCO3, Desalin. Water Treat., 10.1080/19443994.2015.1021998 Heath, 2002, Estimating average particle size by focused beam reflectance measurement (FBRM), Part. Part. Syst. Charact., 19, 84, 10.1002/1521-4117(200205)19:2<84::AID-PPSC84>3.0.CO;2-1 Carnal, 2011, Adsorption of weak polyelectrolytes on charged nanoparticles. Impact of salt valency, pH, and nanoparticle charge density. Monte Carlo simulations, J. Phys. Chem. B, 10.1021/jp205616e Pokrovsky, 2004, Experimental study of brucite dissolution and precipitation in aqueous solutions: surface speciation and chemical affinity control, Geochim. Cosmochim. Acta, 10.1016/S0016-7037(03)00238-2 Marcus, 2009, Effect of ions on the structure of water: Structure making and breaking, Chem. Rev., 10.1021/cr8003828 Franks, 2002, Zeta potentials and yield stresses of silica suspensions in concentrated monovalent electrolytes: isoelectric point shift and additional attraction, J. Colloid Interface Sci., 10.1006/jcis.2002.8250 Jeldres, 2019, Analysis of silica pulp viscoelasticity in saline media: the effect of cation size, Minerals, 9, 1, 10.3390/min9040216