Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations

doi:10.1016/j.cjche.2020.07.064

中国化学工程学报 ›› 2021, Vol. 29 ›› Issue (1): 344-353.DOI: 10.1016/j.cjche.2020.07.064

• Energy Science and Technology • 上一篇下一篇

Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations

Lin Li¹, Chuandong Ma^1,2, Mengyu Lin^1,2, Mingpu Liu¹, Hao Yu¹, Qingbiao Wang^3,4, Xiaoqiang Cao², Xiaofang You¹

1 School of Chemistry and Biological Engineering, Shandong University of Science and Technology, Qingdao 266590, China;
2 College of Safety and Environment Engineering, Shandong University of Science and Technology, Qingdao 266590, China;
3 National Engineering Laboratory for Coalmine Backfilling Mining, Shandong University of Science and Technology, Tai'an 271019, China;
4 Department of Resource and Civil Engineering, Shandong University of Science and Technology, Tai'an 271019, China

收稿日期:2020-06-27 修回日期:2020-07-24 出版日期:2021-01-28 发布日期:2021-04-02
通讯作者: Xiaoqiang Cao, Xiaofang You
基金资助:
This work was supported by SDUST Research Fund (Grant No. 2018TDJH101), Key Research and Development Project of Shandong (Grant No. 2019GGX103035), National Natural Science Foundation of China (Grant Nos. 51904174, 52074175), Young Science and Technology Innovation Program of Shandong Province (Grant No. 2020KJD001), and Project of Shandong Province Higher Educational Young Innovative Talent Introduction and Cultivation Team.

Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations

Lin Li¹, Chuandong Ma^1,2, Mengyu Lin^1,2, Mingpu Liu¹, Hao Yu¹, Qingbiao Wang^3,4, Xiaoqiang Cao², Xiaofang You¹

1 School of Chemistry and Biological Engineering, Shandong University of Science and Technology, Qingdao 266590, China;
2 College of Safety and Environment Engineering, Shandong University of Science and Technology, Qingdao 266590, China;
3 National Engineering Laboratory for Coalmine Backfilling Mining, Shandong University of Science and Technology, Tai'an 271019, China;
4 Department of Resource and Civil Engineering, Shandong University of Science and Technology, Tai'an 271019, China

Received:2020-06-27 Revised:2020-07-24 Online:2021-01-28 Published:2021-04-02
Contact: Xiaoqiang Cao, Xiaofang You
Supported by:
This work was supported by SDUST Research Fund (Grant No. 2018TDJH101), Key Research and Development Project of Shandong (Grant No. 2019GGX103035), National Natural Science Foundation of China (Grant Nos. 51904174, 52074175), Young Science and Technology Innovation Program of Shandong Province (Grant No. 2020KJD001), and Project of Shandong Province Higher Educational Young Innovative Talent Introduction and Cultivation Team.

摘要/Abstract

摘要： The effect of sodium lignosulfonate (SL) as additive on the preparation of low-rank coal-water slurry (LCWS) was studied by experiments and molecular dynamics (MD) simulations. The experimental results show that the appropriate amount of additives is beneficial to reduce the viscosity of LCWS and increase the slurry concentration. Adsorption isotherm studies showed that SL conforms to single-layer adsorption on the coal surface, and △G_ads⁰ was negative, proving that the reaction was spontaneous. Zeta potential measurements showed that SL increased the negative charge on coal. FTIR scanning and XPS wide-range scanning were performed on the coal before and after adsorption, and it was found that the content of oxygen functional groups on coal increased after adsorption. Simulation results show that when a large number of SL molecules exist in the solution, some SL molecules will bind to hydrophobic hydrocarbon groups on coal. The rest of the SL molecules, their hydrophobic alkyl tails, come into contact with each other and aggregate in solution. The agglomeration of SL molecules and the surface of coal with static electricity will also produce electrostatic interaction, which is conducive to the even dispersion of coal particles. The results of mean square displacement (MSD) and self-diffusion coefficient (D) show that the addition of SL reduces the diffusion rate of water molecules. Simulation results correspond to experimental results, indicating that MD simulation is accurate and feasible.

关键词: LCWS, Low-rank coal, Sodium lignosulfonate, MD simulation

Abstract: The effect of sodium lignosulfonate (SL) as additive on the preparation of low-rank coal-water slurry (LCWS) was studied by experiments and molecular dynamics (MD) simulations. The experimental results show that the appropriate amount of additives is beneficial to reduce the viscosity of LCWS and increase the slurry concentration. Adsorption isotherm studies showed that SL conforms to single-layer adsorption on the coal surface, and △G_ads⁰ was negative, proving that the reaction was spontaneous. Zeta potential measurements showed that SL increased the negative charge on coal. FTIR scanning and XPS wide-range scanning were performed on the coal before and after adsorption, and it was found that the content of oxygen functional groups on coal increased after adsorption. Simulation results show that when a large number of SL molecules exist in the solution, some SL molecules will bind to hydrophobic hydrocarbon groups on coal. The rest of the SL molecules, their hydrophobic alkyl tails, come into contact with each other and aggregate in solution. The agglomeration of SL molecules and the surface of coal with static electricity will also produce electrostatic interaction, which is conducive to the even dispersion of coal particles. The results of mean square displacement (MSD) and self-diffusion coefficient (D) show that the addition of SL reduces the diffusion rate of water molecules. Simulation results correspond to experimental results, indicating that MD simulation is accurate and feasible.

Key words: LCWS, Low-rank coal, Sodium lignosulfonate, MD simulation

Lin Li, Chuandong Ma, Mengyu Lin, Mingpu Liu, Hao Yu, Qingbiao Wang, Xiaoqiang Cao, Xiaofang You. Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations[J]. 中国化学工程学报, 2021, 29(1): 344-353.

参考文献

[1] X. Zhu, H. Wei, M. Hou, Q. Wang, X. You, L. Li, Thermodynamic behavior and flotation kinetics of an ionic liquid microemulsion collector for coal flotation, Fuel 262(2020), 116627.
[2] D.C. Baker, A. Attar, Sulfur pollution from coal combustion. Effect of the mineral components of coal on the thermal stabilities of sulfated ash and calcium sulfate, Environ. Sci. Technol. 15(1981) 288-293.
[3] X. Zhu, M. He, W. Zhang, H. Wei, X. Lyu, Q. Wang, X. You, L. Li, Formulation design of microemulsion collector based on gemini surfactant in coal flotation, J. Clean. Prod. 257(2020), 120496.
[4] X. Zhu, Y. Zhang, Y. Zhang, Z. Yan, C. Nie, X. Lyu, Y. Tao, J. Qiu, L. Li, Flotation dynamics of metal and non-metal components in waste printed circuit boards, J. Hazard. Mater. 392(2020), 122322.
[5] J.-z. Liu, R.-k. Wang, F.-y. Gao, J.-h. Zhou, K.-f. Cen, Rheology and thixotropic properties of slurry fuel prepared using municipal wastewater sludge and coal, Chem. Eng. Sci. 76(2012) 1-8.
[6] S. Fan, Y. Wang, Z. Wang, J. Tang, J. Tang, X. Li, Removal of methylene blue from aqueous solution by sewage sludge-derived biochar:adsorption kinetics, equilibrium, thermodynamics and mechanism, J. Environ. Chem. Eng. 5(2017) 601-611.
[7] H. Chang, H. Zhang, Z. Jia, L. Xing, W. Gao, W.L. Wei, Wettability of coal pitch surface by aqueous solutions of cationic Gemini surfactants, Colloids Surf. A Physicochem. Eng. Asp. 494(2016) (S092777571630022X).
[8] G. Ni, Z. Li, H. Xie, The mechanism and relief method of the coal seam water blocking effect (WBE) based on the surfactants, Powder Technol. 323(2018) 60-68.
[9] S. Liu, X. Liu, Z. Guo, Y. Liu, J. Guo, S. Zhang, Wettability modification and restraint of moisture re-adsorption of lignite using cationic gemini surfactant, Colloids Surf. A Physicochem. Eng. Asp. 508(2016) 286-293.
[10] J. Guo, L. Zhang, S. Liu, B. Li, Effects of hydrophilic groups of nonionic surfactants on the wettability of lignite surface:molecular dynamics simulation and experimental study, Fuel 231(2018) 449-457.
[11] F.H. Stillinger, A. Rahman, Improved simulation of liquid water by molecular dynamics, J. Chem. Phys. 60(1974) 1545-1557.
[12] K. Kremer, G.S. Grest, Dynamics of entangled linear polymer melts:a molecular-dynamics simulation, J. Chem. Phys. 92(1990) 5057-5086.
[13] F. Xiao, B.Q. Yan, X.Y. Zou, X.Q. Cao, L. Dong, X.J. Lyu, L. Li, J. Qiu, P. Chen, S.G. Hu, Q.J. Zhang, Study on ionic liquid modified montmorillonite and molecular dynamics simulation, Colloid. Surf. A (2019) 587.
[14] B. Smit, L.D.J. Loyens, G.L. Verbist, Simulation of adsorption and diffusion of hydrocarbons in zeolites, Faraday Discuss. 106(1997) 93-104.
[15] H. Du, J. Miller, A molecular dynamics simulation study of water structure and adsorption states at talc surfaces, Int. J. Miner. Process. 84(2007) 172-184.
[16] M. Gao, X. Li, C. Ren, Z. Wang, Y. Pan, L. Guo, Construction of a multicomponent molecular model of Fugu coal for ReaxFF-MD pyrolysis simulation, Energy Fuel 33(2019) 2848-2858.
[17] B. Chen, Z.J. Diao, Y.L. Zhao, X.X. Ma, A ReaxFF molecular dynamics (MD) simulation for the hydrogenation reaction with coal related model compounds, Fuel 154(2015) 114-122.
[18] X. You, M. He, X. Zhu, H. Wei, X. Cao, P. Wang, L. Li, Influence of surfactant for improving dewatering of brown coal:a comparative experimental and MD simulation study, Sep. Purif. Technol. 210(2019) 473-478.
[19] Y. Xia, R. Zhang, Y. Xing, X. Gui, Improving the adsorption of oily collector on the surface of low-rank coal during flotation using a cationic surfactant:an experimental and molecular dynamics simulation study, Fuel 235(2019) 687-695.
[20] X. You, M. He, W. Zhang, H. Wei, X. Lyu, Q. He, L. Li, Molecular dynamics simulations of nonylphenol ethoxylate on the Hatcher model of subbituminous coal surface, Powder Technol. 332(2018) 323-330.
[21] Y. Tu, P. Feng, Y. Ren, Z. Cao, R. Wang, Z. Xu, Adsorption of ammonia nitrogen on lignite and its influence on coal water slurry preparation, Fuel 238(2019) 34-43.
[22] M. Zhou, X. Qiu, D. Yang, H. Lou, X. Ouyang, High-performance dispersant of coal- water slurry synthesized from wheat straw alkali lignin, Fuel Process. Technol. 88(2007) 375-382.
[23] H.-Y. Lu, X.-F. Li, C.-Q. Zhang, W.-H. Li, D.-P. Xu, β-Cyclodextrin grafted on alkali lignin as a dispersant for coal water slurry, Energ. Sources Part A:Recovery, Utilization, and Environmental Effects 41(2019) 1716-1724.
[24] M. Yan, D. Yang, Y. Deng, P. Chen, H. Zhou, X. Qiu, Influence of pH on the behavior of lignosulfonate macromolecules in aqueous solution, Colloids Surf. A Physicochem. Eng. Asp. 371(2010) 50-58.
[25] S. Wang, J. Wu, J. Liu, N. Li, X. Zeng, K. Cen, Effect of ammonia nitrogen and low-molecular-weight organics on the adsorption of additives on coal surface:a combination of experiments and molecular dynamics simulations, Chem. Eng. Sci. 205(2019) 134-142.
[26] S. Liu, M. Chen, X. Cao, G. Li, D. Zhang, M. Li, N. Meng, J. Yin, Y. B, Chromium (VI) removal from water using cetylpyridinium chloride (CPC)-modified montmorillonite, Sep. Purif. Technol. 241(2020), 116732.
[27] X. You, M. He, X. Cao, P. Wang, J. Wang, L. Li, Molecular dynamics simulations of removal of nonylphenol pollutants by graphene oxide:experimental study and modelling, Appl. Surf. Sci. 475(2019) 621-626.
[28] Z. Zhang, C. Wang, K. Yan, Adsorption of collectors on model surface of wiser bituminous coal:a molecular dynamics simulation study, Miner. Eng. 79(2015) 31-39.
[29] P.G. Hatcher, Chemical structural models for coalified wood (vitrinite) in low rank coal, Org. Geochem. 16(1990) 959-968.
[30] J.P. Mathews, A.C. van Duin, A.L. Chaffee, The utility of coal molecular models, Fuel Process. Technol. 92(2011) 718-728.
[31] X. Lyu, X. You, M. He, W. Zhang, H. Wei, L. Li, Q. He, Adsorption and molecular dynamics simulations of nonionic surfactant on the low rank coal surface, Fuel 211(2018) 529-534.
[32] M.K. Konduri, P. Fatehi, Adsorption and dispersion performance of oxidized sulfomethylated kraft lignin in coal water slurry, Fuel Process. Technol. 176(2018) 267-275.
[33] P. Phulkerd, N. Thongchul, K. Bunyakiat, A. Petsom, Coal water slurry using dispersant synthesized from cashew nut shell liquid (CNSL), Fuel Process. Technol. 119(2014) 256-262.
[34] M. Zhou, X. Qiu, D. Yang, H. Lou, Properties of different molecular weight sodium lignosulfonate fractions as dispersant of coal-water slurry, J. Dispers. Sci. Technol. 27(2006) 851-856.
[35] Y. Li, Z.-H. Wang, Z.-Y. Huang, J.-Z. Liu, J.-H. Zhou, K.-F. Cen, Effect of pyrolysis temperature on lignite char properties and slurrying ability, Fuel Process. Technol. 134(2015) 52-58.
[36] X. Zhu, H. Zhang, C. Nie, X. Liu, X. Lyu, Y. Tao, J. Qiu, L. Li, G. Zhang, Recycling metals from -0.5 mm waste printed circuit boards by flotation technology assisted by ionic renewable collector, J. Clean. Prod. 258(2020), 120628.
[37] R. Wang, Q. Ma, Z. Zhao, X. Ye, Q. Jin, Z. Zhao, J. Liu, Adsorption of surfactants on coal surfaces in the coking wastewater environment:kinetics and effects on the slurrying properties of coking wastewater-coal slurry, Ind. Eng. Chem. Res. 58(2019) 12825-12834.
[38] N.R. Tummala, L. Shi, A. Striolo, Molecular dynamics simulations of surfactants at the silica-water interface:anionic vs nonionic headgroups, J. Colloid Interface Sci. 362(2011) 135-143.
[39] J.P. Zhang, Y.Y. Zhang, L. Hui, J.X. Gao, X.L. Cheng, Molecular dynamics investigation of thermite reaction behavior of nanostructured Al/SiO₂ system, Acta Phys. Sin. 63(2014) 086401-086446.
[40] C.-G. Tao, H.-J. Feng, J. Zhou, L.-H. Lv, X.-H. Lu, Molecular simulation of oxygen adsorption and diffusion in polypropylene, Acta Phys. -Chim. Sin. 25(2009) 1373-1378.
[41] H. Zhao, Y. Wang, Y. Yang, X. Shu, H. Yan, Q. Ran, Effect of hydrophobic groups on the adsorption conformation of modified polycarboxylate superplasticizer investigated by molecular dynamics simulation, Appl. Surf. Sci. 407(2017) 8-15.

Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations

Study of sodium lignosulfonate prepare low-rank coal-water slurry: Experiments and simulations

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