[1]佟林全,刘建华,刘建国,等.黏结型抑制剂抑制煤尘实验与分子模拟研究*[J].中国安全生产科学技术,2025,21(9):30-37.[doi:10.11731/j.issn.1673-193x.2025.09.004]
TONG Linquan,LIU Jianhua,LIU Jianguo,et al.Experimental and molecular simulation study on coal dust suppression by binding dust suppressants[J].Journal of Safety Science and Technology,2025,21(9):30-37.[doi:10.11731/j.issn.1673-193x.2025.09.004]
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黏结型抑制剂抑制煤尘实验与分子模拟研究*
TONG Linquan,LIU Jianhua,LIU Jianguo,et al.Experimental and molecular simulation study on coal dust suppression by binding dust suppressants[J].Journal of Safety Science and Technology,2025,21(9):30-37.[doi:10.11731/j.issn.1673-193x.2025.09.004]
《中国安全生产科学技术》[ISSN:1673-193X/CN:11-5335/TB]
- 卷:
- 21
- 期数:
- 2025年9期
- 页码:
- 30-37
- 栏目:
- 学术论著
- 出版日期:
- 2025-09-30
文章信息/Info
- Title:
- Experimental and molecular simulation study on coal dust suppression by binding dust suppressants
- 文章编号:
- 1673-193X(2025)-09-0030-08
- Keywords:
- dust control; binding dust suppressant; molecular simulation; interaction energy; mechanical properties
- 分类号:
- TD714.4；X936
- 文献标志码:
- A
- 摘要:
- 为实现高效持久的抑尘性能，黏结型抑尘剂在粉尘防治领域得到广泛应用，通过实验室实验系统评估3种典型黏结型抑尘剂聚乙烯吡咯烷酮（PVP）、聚丙烯酰胺（PAM）和聚乙烯醇（PVA）在不同环境扰动下的抑尘效果，并结合分子模拟技术深入探讨其微观作用机制。研究结果表明：黏结型抑尘剂通过流动性包覆煤尘微粒，形成光滑膜状结构或粒子聚集体，有效降低风蚀率和雨水侵蚀率，表现出显著优于水溶液对照组的抑尘性能。其中，PAM在抗风蚀和雨水侵蚀方面效果最佳，其次为PVP和PVA；分子模拟结果显示抑尘剂的黏度与其内聚能密度呈正相关（PAM>PVA>PVP）；结合能、机械性能和剪切应力的模拟结果与实验数据一致（PAM>PVP>PVA），表明抑尘剂的作用效果取决于其与煤尘的适配性；径向分布函数和相对数密度分析显示，PAM更紧密吸附在煤尘表面，展现更强的黏附性能，其结合能主要来源于范德华力，静电力贡献较低；泊松比和柯西压力分析结果显示，上述材料具有一定韧性，能够抵抗外界扰动；非限制性剪切模拟进一步发现，PAM的剪切应力显著高于PVP和PVA，表明其具有更强的抗扰动能力。研究结果从分子层面阐明黏结型抑尘剂的作用机理，为高效筛选适用的黏结型抑尘剂提供理论参考和科学指导。
- Abstract:
- In order to achieve efficient and long-lasting dust suppression performance,binding dust suppressants have been widely applied in the field of dust control.This study systematically evaluates the dust suppression effects of three typical binding dust suppressants—polyvinylpyrrolidone (PVP),polyacrylamide (PAM),and polyvinyl alcohol (PVA)—under different environmental disturbances through laboratory experiments,and further explores their microscopic mechanisms using molecular simulation technology.The results demonstrate that binding dust suppressants effectively encapsulate coal dust particles through fluid coating,forming smooth film-like structures or particle aggregates,significantly reducing wind erosion and rain erosion rates,and demonstrating dust suppression performance far superior to that of aqueous control groups.Among the tested suppressants,PAM exhibited the best performance in resisting wind and rainfall erosion,followed by PVP and PVA.Molecular simulation results reveal a positive correlation between the viscosity of suppressants and their cohesive energy density (PAM > PVA > PVP).Simulation results for binding energy,mechanical properties,and shear stress align with the experimental data (PAM > PVP > PVA),indicating that the effectiveness of a dust suppressants depend on their compatibility with coal dust.Radial distribution function and relative number density analyses indicate that PAM adsorbed more tightly onto the coal dust surface,exhibiting stronger adhesion properties.Its binding energy primarily originates from van der Waals forces,with a lower contribution from electrostatic forces.Poisson’s ratio and Cauchy pressure analyses demonstrate that these materials possess certain toughness,enabling them to resist external disturbances.Furthermore,unconstrained shear simulations reveal that the shear stress of PAM is significantly higher than that of PVP and PVA,indicating its stronger resistance to disturbances .The finding elucidates the mechanism of binding dust suppressants at the molecular level,providing theoretical references and scientific guidance for the efficient screening of suitable binding dust suppressants.
参考文献/References:
［1］WANG J,LI T,LI Z,et al.Study on the spatial and temporal distribution characteristics and influencing factors of particulate matter pollution in coal production cities in China［J］.International Journal of Environmental Research and Public Health,2022,19(6):3228.
［2］LIU W,LI Y,LIU T,et al.How to promote low-carbon economic development? A comprehensive assessment of carbon tax policy in China［J］.International Journal of Environmental Research and Public Health,2021,18(20):10699.
［3］DI A,WU Y,CHEN M,et al.Chemical characterization of seasonal PM2.5 samples and their cytotoxicity in human lung epithelial cells (A549)［J］.International Journal of Environmental Research and Public Health,2020,17(12):4599.
［4］张江石,柳鹏程,方磊,等.AEO5/SLS二元泡沫抑尘剂复配与润煤性能研究［J/OL］.材料导报,1-13［2025-09-11］.https://link.cnki.net/urlid/50.1078.tb.20250124.1417.032.
［5］CHEN X,ZUO P,ZHANG G,et al.Study of the micromechanism of the effect of fatty alcohol poly (oxyethylene) ether-9 on the wettability of Jincheng anthracite［J］.ACS Omega,2022,7(46):42582-42592.
［6］YU H,GAO Y,ZHOU R.Oxidative stress from exposure to the underground space environment［J］.Frontiers in Public Health,2020,8:579634.
［7］LIU X,CHEN K,ZHANG D,et al.Stable and durable conductive superhydrophobic coatings prepared by double-layer spray coating method［J］.Nanomaterials,2021,11(6):1506.
［8］ZHENG L,LIU Z,LI D,et al.Micromechanism analysis of surfactant wetting of coal based on 13C NMR experiments［J］.ACS Omega,2021,6(2):1378-1390.
［9］SHEN Z,AO Z,WANG Z,et al.Study on crust-shaped dust suppressant in non-disturbance area of open-pit coal mine—A case study［J］.International Journal of Environmental Research and Public Health,2023,20(2):934.
［10］HAN F,LIU M,HU F,et al.Spreading behavior and wetting characteristics of anionic surfactant droplets impacting bituminous coal［J］.ACS Omega,2022,7(50):46241-46249.
［11］LEE T,PARK J,KNOFF D S,et al.Liquid amphiphilic polymer for effective airborne dust suppression［J］.RSC Advances,2019,9(68):40146-40151.
［12］ZHANG Y,GAO P.Hybrid photovoltaic/thermoelectric systems for round-the-clock energy harvesting［J］.Molecules,2022,27(21):7590.
［13］LIAO K,AN J,FU L,et al.Adsorption of welan gum on montmorillonite and its influencing factors［J］.Polymers,2022,14(13):2599.
［14］JIA T,WU X,QU G.Molecular simulation of thermodynamic properties of CH4/CO2 adsorption by coal molecules at different temperatures and moisture contents under variable pressure conditions［J］.ACS Omega,2023,8(50):48381-48393.
［15］SUN W,ZENG H,TANG T.Synergetic adsorption of polymers on montmorillonite:Insights from molecular dynamics simulations［J］.Applied Clay Science,2020,193:105654.
［16］YANG X,XIONG Z,MAO J,et al.Molecular dynamics simulations to study the adsorption damage of modified polyacrylamide in sandstone pores［J］.Journal of Molecular Liquids,2024,397:124096..
［17］SEO S,LEE D W,AHU J S,et al.Significant performance enhancement of polymer resins by bioinspired dynamic bonding［J］.Advanced Materials,2017,29(39):1703026.
［18］REN Z,SUN H,ZHOU X,et al.Insights from molecular dynamics simulations for interfacial effects between polylactic acid and wood cell wall constituents［J］.Composites Part A:Applied Science and Manufacturing,2023，164:107310.
［19］LIU Y,LI H,GAO M,et al.Experimental and molecular dynamics study into the surfactant effect upon coal wettability［J］.RSC Advances,2021,11(40):24543-24555.
［20］WEI Q,WANG Y,RAO Y,et al.Evaluating the effects of nanosilica on mechanical and tribological properties of polyvinyl alcohol/polyacrylamide polymer composites for artificial cartilage from an atomic level［J］.Polymers,2019,11(1):76.
［21］XU Y,WANG Y,WANG T,et al.demulsification of heavy oil-in-water emulsion by a novel janus graphene oxide nanosheet:experiments and molecular dynamic simulations［J］.Molecules,2022,27(7):2191.
［22］SING H R,BHARDWAJ V K,SHARMA J,et al.Identification of potential plant bioactive as SARS-CoV-2 spike protein and human ACE2 fusion inhibitors［J］.Computers in Biology and Medicine,2021,136:104631.
［23］JIA J,XIAO L,WANG D,et al.Construction and optimization of macromolecular structure model of Tiebei lignite［J］.PLoS One,2023,18(8):e0289328.
［24］ALKHOLIEF M,KALAM M A,ANWER M K,et al.Effect of solvents,stabilizers and the concentration of stabilizers on the physical properties of poly (D,L-lactide-co-glycolide) nanoparticles:encapsulation,in vitro release of indomethacin and cytotoxicity against HepG2-cell［J］.Pharmaceutics,2022,14(4):870.
［25］LI M,SONG X,LI G,et al.Experimental study on dust suppression effect and performance of new nano-composite dust suppressant［J］.International Journal of Environmental Research and Public Health,2022,19(10):6288.
［26］NIE M,LI S,LI X,et al.The preparation and dust suppression performance evaluation of iron ore tailing-based cementitious composites［J］.Molecules,2024,29(9):2056.
［27］MA Y,LI Z,TIAN L,et al.Erosion of granite red soil slope and processes of subsurface flow generation,prediction,and simulation［J］.International Journal of Environmental Research and Public Health,2023,20(3):2104.
［28］WANG Z,PEI Q,LI K,et al.Molecular dynamics simulation of the rejuvenation performance of waste cooking oil with high acid value on aged asphalt［J］.Molecules,2024,29(12):2830.
［29］ZHOU C,PENG M,YANG X,et al.Study of the cold curing characteristics of isocyanate-modified asphalt［J］.Materials,2024,17(5):1048.
［30］MA L,LIU F,LIU D,et al.Review of strain rate effects of fiber-reinforced polymer composites［J］.Polymers,2021,13(17):2839.
［31］FU J,WANG B,CHEN Y,et al.Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation［J］.Royal Society Open Science,2021,8(2):200345.
［32］ZHANG X,CHENG J,KANG T,et al.Electrochemical modification on CH4 and H2O wettability of Qinshui anthracite coal:a combined experimental and molecular dynamics simulation study［J］.ACS Omega,2021,6(37):24147-24155.
［33］WANG J,LI P,CAO C,et al.A dissipative particle dynamics study of flow behaviors in ultra high molecular weight polyethylene/polyamide 6 blends based on Souza-martins method［J］.Polymers,2019,11(8):1275.
［34］GORBATKINA Y A,IVANOVA-MUMZHIEVA V G,ALEXEEVA O V,et al.The influence of residual stresses on the curve shape—describing interface behavior in “polymer-fiber” systems［J］.Polymers,2024,16(5):582.
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备注/Memo
- 备注/Memo:
-
收稿日期： 2025-03-25
* 基金项目： 国家自然科学基金项目(52474205，52204198)；国家卫健委粉尘危害工程防护重点实验室开放课题(KLECDH20220101)
作者简介： 佟林全，硕士，高级工程师，主要研究方向为粉尘危害防治及职业健康。
通信作者： 张震，博士，研究员，主要研究方向为粉尘危害防治及职业健康。
