Jingshuo Zhang, Xiaoming Ni*, Gaofeng Liu and Xiao Liu,
{"title":"KCl干预下不同表面活性剂改性煤的润湿行为及机理","authors":"Jingshuo Zhang, Xiaoming Ni*, Gaofeng Liu and Xiao Liu, ","doi":"10.1021/acs.langmuir.5c0007410.1021/acs.langmuir.5c00074","DOIUrl":null,"url":null,"abstract":"<p >The fracturing fluid with an added surfactant is conducive to backflow, and it is gaining more and more popularity in coal seam hydraulic fracturing projects. At the same time, the types and concentrations of mineral ions in the solution have an important impact on the backflow of the fracturing fluid. With K<sup>+</sup> and Cl<sup>–</sup> as representative ions of the mineralization degree of water solutions, understanding the mechanism of K<sup>+</sup> and Cl<sup>–</sup> on the wettability of surfactant-modified coal can provide a scientific theoretical basis for the backflow of the fracturing fluid. Based on this issue, Shanxi Changping Coal Mine coal samples were selected, and simulation methods were used to study the intervention effect of KCl on the wettability behavior of different types of surfactant-modified coal. The wettability behavior mechanism of KCl on different types of surfactant-modified coal was revealed through parameters such as radial distribution function (RDF), hydrogen bonds, diffusion behavior (mean square displacement), and interaction energy. Results show that under intervention using KCl, the peaks in RDFs of surfactants and water decrease significantly; the number of hydrogen bonds decreases by 22.02–40.48%; and the binding energy decreases by 41.32%–58.23%. The occurrence of nonionic surfactant APG in the aqueous solution changes it from a dispersed into an agglomerated distribution, while that of ionic surfactants exhibits the opposite trend. The diffusion coefficient of water in surfactant solutions decreases by more than 59.56%. Under intervention using KCl, the wettabilities of coal modified by different surfactants all decline. After intervention using KCl, the electrostatic force decreases sharply in the interaction energy between coal modified by the three surfactants APG, SDBS, and BS-12 and water, while the van der Waals (VDW) force is only slightly affected; the VDW force increases in the interaction energy between CTAB-modified coal and water.</p>","PeriodicalId":50,"journal":{"name":"Langmuir","volume":"41 16","pages":"10250–10262 10250–10262"},"PeriodicalIF":3.9000,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Wetting Behaviors and Mechanisms of Coal Modified by Different Types of Surfactants under Intervention Using KCl\",\"authors\":\"Jingshuo Zhang, Xiaoming Ni*, Gaofeng Liu and Xiao Liu, \",\"doi\":\"10.1021/acs.langmuir.5c0007410.1021/acs.langmuir.5c00074\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The fracturing fluid with an added surfactant is conducive to backflow, and it is gaining more and more popularity in coal seam hydraulic fracturing projects. At the same time, the types and concentrations of mineral ions in the solution have an important impact on the backflow of the fracturing fluid. With K<sup>+</sup> and Cl<sup>–</sup> as representative ions of the mineralization degree of water solutions, understanding the mechanism of K<sup>+</sup> and Cl<sup>–</sup> on the wettability of surfactant-modified coal can provide a scientific theoretical basis for the backflow of the fracturing fluid. Based on this issue, Shanxi Changping Coal Mine coal samples were selected, and simulation methods were used to study the intervention effect of KCl on the wettability behavior of different types of surfactant-modified coal. The wettability behavior mechanism of KCl on different types of surfactant-modified coal was revealed through parameters such as radial distribution function (RDF), hydrogen bonds, diffusion behavior (mean square displacement), and interaction energy. 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Wetting Behaviors and Mechanisms of Coal Modified by Different Types of Surfactants under Intervention Using KCl
The fracturing fluid with an added surfactant is conducive to backflow, and it is gaining more and more popularity in coal seam hydraulic fracturing projects. At the same time, the types and concentrations of mineral ions in the solution have an important impact on the backflow of the fracturing fluid. With K+ and Cl– as representative ions of the mineralization degree of water solutions, understanding the mechanism of K+ and Cl– on the wettability of surfactant-modified coal can provide a scientific theoretical basis for the backflow of the fracturing fluid. Based on this issue, Shanxi Changping Coal Mine coal samples were selected, and simulation methods were used to study the intervention effect of KCl on the wettability behavior of different types of surfactant-modified coal. The wettability behavior mechanism of KCl on different types of surfactant-modified coal was revealed through parameters such as radial distribution function (RDF), hydrogen bonds, diffusion behavior (mean square displacement), and interaction energy. Results show that under intervention using KCl, the peaks in RDFs of surfactants and water decrease significantly; the number of hydrogen bonds decreases by 22.02–40.48%; and the binding energy decreases by 41.32%–58.23%. The occurrence of nonionic surfactant APG in the aqueous solution changes it from a dispersed into an agglomerated distribution, while that of ionic surfactants exhibits the opposite trend. The diffusion coefficient of water in surfactant solutions decreases by more than 59.56%. Under intervention using KCl, the wettabilities of coal modified by different surfactants all decline. After intervention using KCl, the electrostatic force decreases sharply in the interaction energy between coal modified by the three surfactants APG, SDBS, and BS-12 and water, while the van der Waals (VDW) force is only slightly affected; the VDW force increases in the interaction energy between CTAB-modified coal and water.
期刊介绍:
Langmuir is an interdisciplinary journal publishing articles in the following subject categories:
Colloids: surfactants and self-assembly, dispersions, emulsions, foams
Interfaces: adsorption, reactions, films, forces
Biological Interfaces: biocolloids, biomolecular and biomimetic materials
Materials: nano- and mesostructured materials, polymers, gels, liquid crystals
Electrochemistry: interfacial charge transfer, charge transport, electrocatalysis, electrokinetic phenomena, bioelectrochemistry
Devices and Applications: sensors, fluidics, patterning, catalysis, photonic crystals
However, when high-impact, original work is submitted that does not fit within the above categories, decisions to accept or decline such papers will be based on one criteria: What Would Irving Do?
Langmuir ranks #2 in citations out of 136 journals in the category of Physical Chemistry with 113,157 total citations. The journal received an Impact Factor of 4.384*.
This journal is also indexed in the categories of Materials Science (ranked #1) and Multidisciplinary Chemistry (ranked #5).