A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions
The search for polymers that meet the demands of the water recovery process in mining is a contingent challenge. Both the presence of clays and saline waters can impair water recovery from tailings when conventional flocculants are used. In this work, the adsorption of polyacrylamide (PAM), hydrolyz...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-09-01
|
| Series: | Polymers |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4360/14/18/3851 |
| _version_ | 1797483245503250432 |
|---|---|
| author | Gonzalo R. Quezada Williams Leiva Jorge H. Saavedra Pedro Robles Edelmira Gálvez Ricardo I. Jeldres |
| author_facet | Gonzalo R. Quezada Williams Leiva Jorge H. Saavedra Pedro Robles Edelmira Gálvez Ricardo I. Jeldres |
| author_sort | Gonzalo R. Quezada |
| collection | DOAJ |
| description | The search for polymers that meet the demands of the water recovery process in mining is a contingent challenge. Both the presence of clays and saline waters can impair water recovery from tailings when conventional flocculants are used. In this work, the adsorption of polyacrylamide (PAM), hydrolyzed polyacrylamide (HPAM), poly(2-acrylamido-2-methyl-1-propane sulfonic acid) (PAMPS), polyacrylic acid (PAA), polyethylene oxide (PEO), and guar gum (GUAR) on a kaolinite surface (010) was investigated using classical molecular dynamics. The results show that the presence of sodium chloride modifies the affinities of the polymers with kaolinite (010). At low salt concentrations, the PAM and GUAR polymers generally show higher adsorption due to the formation of hydrogen bridges. However, the highest adsorptions occur in salt solutions in the presence of HPAM by cationic bridging with sodium ions as a mediator. This high affinity of HPAM is not efficient for flocculation because it re-disperses the particles, but it is promising for the design of new additives produced by grafting HPAM groups onto advanced polymers. |
| first_indexed | 2024-03-09T22:44:14Z |
| format | Article |
| id | doaj.art-1d729330f60740989057f5c71159bcf4 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T22:44:14Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-1d729330f60740989057f5c71159bcf42023-11-23T18:30:58ZengMDPI AGPolymers2073-43602022-09-011418385110.3390/polym14183851A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline SolutionsGonzalo R. Quezada0Williams Leiva1Jorge H. Saavedra2Pedro Robles3Edelmira Gálvez4Ricardo I. Jeldres5Departamento de Ingeniería Química, Universidad de Concepción, Concepción 4030000, ChileFaculty of Engineering and Architecture, Universidad Arturo Prat, Iquique 1100000, ChileDepartment of Wood Engineering, Universidad del Bío-Bío, P.O. Box 5-C, Concepción 4030000, ChileEscuela de Ingeniería Química, Pontificia Universidad Católica de Valparaíso, Valparaíso 2340000, ChileDepartment of Metallurgical and Mining Engineering, North Catholic University, Angamos Av. 0610, Antofagasta 1270709, ChileDepartamento de Ingeniería Química y Procesos de Minerales, Facultad de Ingeniería, Universidad de Antofagasta, Antofagasta 1240000, ChileThe search for polymers that meet the demands of the water recovery process in mining is a contingent challenge. Both the presence of clays and saline waters can impair water recovery from tailings when conventional flocculants are used. In this work, the adsorption of polyacrylamide (PAM), hydrolyzed polyacrylamide (HPAM), poly(2-acrylamido-2-methyl-1-propane sulfonic acid) (PAMPS), polyacrylic acid (PAA), polyethylene oxide (PEO), and guar gum (GUAR) on a kaolinite surface (010) was investigated using classical molecular dynamics. The results show that the presence of sodium chloride modifies the affinities of the polymers with kaolinite (010). At low salt concentrations, the PAM and GUAR polymers generally show higher adsorption due to the formation of hydrogen bridges. However, the highest adsorptions occur in salt solutions in the presence of HPAM by cationic bridging with sodium ions as a mediator. This high affinity of HPAM is not efficient for flocculation because it re-disperses the particles, but it is promising for the design of new additives produced by grafting HPAM groups onto advanced polymers.https://www.mdpi.com/2073-4360/14/18/3851flocculant adsorptionedge surfacekaolinitemolecular dynamicsaline water |
| spellingShingle | Gonzalo R. Quezada Williams Leiva Jorge H. Saavedra Pedro Robles Edelmira Gálvez Ricardo I. Jeldres A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions Polymers flocculant adsorption edge surface kaolinite molecular dynamic saline water |
| title | A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions |
| title_full | A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions |
| title_fullStr | A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions |
| title_full_unstemmed | A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions |
| title_short | A Molecular Dynamics Simulation of Polymers’ Interactions with Kaolinite (010) Surfaces in Saline Solutions |
| title_sort | molecular dynamics simulation of polymers interactions with kaolinite 010 surfaces in saline solutions |
| topic | flocculant adsorption edge surface kaolinite molecular dynamic saline water |
| url | https://www.mdpi.com/2073-4360/14/18/3851 |
| work_keys_str_mv | AT gonzalorquezada amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT williamsleiva amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT jorgehsaavedra amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT pedrorobles amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT edelmiragalvez amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT ricardoijeldres amoleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT gonzalorquezada moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT williamsleiva moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT jorgehsaavedra moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT pedrorobles moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT edelmiragalvez moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions AT ricardoijeldres moleculardynamicssimulationofpolymersinteractionswithkaolinite010surfacesinsalinesolutions |