화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.115, 12-19, November, 2022
DOI10.1016/j.jiec.2022.07.049  Export Citation
Scale inhibition performance of calcium sulfate by 1,6-diaminohexanecontained polyaminoamide dendrimers: Static experiment and MD simulation
Yue Sun, Li Li, Zhihao Chen, Xiaoshuang Yin†, Wenzhong Yang, Yun Chen, and Ying Liu
  • School of Chemical and Molecular Engineering, Nanjing Tech University, Nanjing 211816, China
E-mail:
The calcium sulfate scale is a common scale in the industrial water system, which is difficult to be removed by common chemical cleaning methods. In this paper, a new phosphorous free of 1,6- Diaminohexane-contained polyaminoamide dendrimers (PAMAM) scale inhibitor with a threedimensional (3D) branched structure has been developed. The scale inhibition performances of different generations of PAMAM dendrimers (PAMAM-mid, PAMAM-0G, PAMAM-0.5G and PAMAM-1G) are estimated by the static scale inhibition method. Moreover, the effects of the scale inhibitor concentrations and solution temperatures on the CaSO4 scale inhibition efficiency are thoroughly discussed. Results indicate that the PAMAM-mid and PAMAM-0.5G) exhibit excellent inhibition performance on CaSO4 precipitation. Especially, the CaSO4 scale inhibition efficiency of PAMAM-0.5G is above 95% when the dose is 10 mg/L, and the corresponding value is almost 100% when the inhibitor dose is 20 mg/L. In addition, the influence of descaling agents on the crystal and morphology of CaSO4 scales are studied by XRD and SEM tests. The results show that the scale inhibition ability of the PAMAM molecules mainly inhibits the growth of these crystal planes by adsorption on the surface of the growing crystal. Molecular dynamics simulation results find that the PAMAM-0.5G dendrimer molecule can energetically interact well with three crystal planes of calcium sulfate dihydrate. Finally, the simulation results provide a theoretical guidance to judge the performance of scale inhibitors and synthesize new high-efficiency scale inhibitor.
Keywords:Dendrimer;Calcium sulfate;Scale inhibition;Molecular dynamics simulation
  1. Yang L, Yang W, Xu B, Yin X, Chen Y, Liu Y, et al., Desalination, 416, 166 (2017)
  2. Zhang S, Qu H, Yang Z, Fu CE, Tian Z, Yang W, Desalination, 419, 152 (2017)
  3. Huang H, Yao Q, Chen H, Liu B, RSC Adv., 6, 92943 (2016)
  4. Sadani M, Rasolevandi T, Azarpira H, Mahvi AH, Ghaderpoori M, Mohseni SM, et al., J. Mol. Liq., 317, 114246 (2020)
  5. Massoudinejad M, Zarandi SM, Amini MM, Mohseni SM, Process Saf. Environ. Protect., 134, 440 (2020)
  6. Sheikhmohammadi A, Mohseni SM, Hashemzadeh B, Asgari E, Sharafkhani R, Sardar M, et al., Desalinat. Water Treat., 160, 297 (2019)
  7. Rahman F, Desalination, 319, 79 (2013)
  8. Uchymiak M, Lyster E, Glater J, Cohen Y, J. Membr. Sci., 314, 163 (2008)
  9. Mazumder MAJ, Coatings, 10 (2020)
  10. Antony A, Low JH, Gray S, Childress AE, Le-Clech P, Leslie G, J. Membr. Sci., 383, 1 (2011)
  11. Fu L, Lv J, Zhou L, Li Z, Tang M, Li J, Mater. Lett., 264, 127276 (2020)
  12. Gamal H, Elkatatny S, Al Shehri D, Bahgat M, Sustainability, 12 (2020)
  13. Hamdona SK, Al Hadad OA, Desalination, 228, 277 (2008)
  14. Can HK, Üner G, Desalination, 355, 225 (2015)
  15. Chauhan K, Kumar R, Kumar M, Sharma P, Chauhan GS, Desalination, 305, 31 (2012)
  16. Chen J, Xu L, Han J, Su M, Wu Q, Desalination, 358, 42 (2015)
  17. Derakhshanian V, Banerjee S, Ind. Eng. Chem. Res., 51, 4463 (2012)
  18. Zuo Y, Yang W, Zhang K, Chen Y, Yin X, Liu Y, Crystals, 10, 406 (2020)
  19. Zeino A, Albakri M, Khaled M, Zarzour M, J. Water Process Eng., 21, 1 (2018)
  20. Dong S, Yuan X, Chen S, Zhang L, Huang T, Ind. Eng. Chem. Res., 57, 13952 (2018)
  21. Dyer SJ, Anderson CE, Graham GM, J. Pet. Sci. Eng., 43, 259 (2004)
  22. Gao Y, Fan L, Ward L, Liu Z, Desalination, 365, 220 (2015)
  23. Zhang P, Liu Y, Zhang N, Ip WF, Kan AT, Tomson MB, J. Ind. Eng. Chem., 70, 462 (2019)
  24. Kumar NM, Varaprasad K, Rao KM, Babu AS, Srinivasulu M, Naidu SV, J. Polym. Environ., 20, 17 (2011)
  25. Mady MF, Bayat P, Kelland MA, Ind. Eng. Chem. Res., 59, 9808 (2020)
  26. Popuri SR, Hall C, Wang CC, Chang CY, Int. Biodeterior. Biodegrad., 95, 225 (2014)
  27. Oyama HT, Tanishima D, Ogawa R, Biomacromolecules, 18, 1281 (2017)
  28. Sun Y, Yin X, Chen Z, Yang W, Chen Y, Liu Y, et al., Colloids Surf. A: Physicochem. Eng. Asp., 613, 126095 (2021)
  29. Demadis KD, J. Chem. Technol. Biotechnol., 80, 630 (2005)
  30. Chen C, Bai N, Zhang Y, Jiao L, Xia M, Chen G, J. Mol. Model., 23, 32 (2017)
  31. Sharma R, Sharma A, Kambhampati SP, Reddy RR, Zhang Z, Cleland JL, et al., Bioeng. Transl. Med., 3, 87 (2018)
  32. Demadis KD, Brückner SI, Brunner E, Paasch S, Antonakaki I, Casolaro M, Chem. Mater., 27, 6827 (2015)
  33. Demadis KD, Ketsetzi A, Pachis K, Ramos VM, Biomacromolecules, 9, 3288 (2008)
  34. Sohail I, Bhatti IA, Ashar A, Sarim FM, Mohsin M, Naveed R, et al., J. Mater. Res. Technol., 9, 498 (2020)
  35. Chen X, Chen Y, Cui J, Li Y, Liang Y, Cao G, Comput. Mater. Sci., 188, 110229 (2021)
  36. Shi W, Xu W, Cang H, Yan X, Shao R, Zhang Y, et al., Comput. Mater. Sci., 136, 118 (2017)
  37. Shi WY, Ding C, Yan JL, Han XY, Lv ZM, Lei W, et al., Desalination, 291, 8 (2012)
  38. Ketsetzi A, Stathoulopoulou A, Demadis KD, Desalination, 223, 487 (2008)
  39. Demadis KD, Preari M, Desalin. Water Treat., 55, 749 (2014)
  40. Sheikholeslami R, Al-Mutaz IS, Koo T, Young A, Desalination, 139, 83 (2001)
  41. Ning RY, Desalin. Water Treat., 21, 79 (2010)
  42. Neofotistou E, Demadis KD, Colloids Surf. A: Physicochem. Eng. Asp., 242, 213 (2004)
  43. Zhang B, Xin S, Chen Y, Li F, J. Colloid Interface Sci., 368, 181 (2012)
  44. Kokhanenko P, Brown K, Jermy M, Colloids Surf. A: Physicochem. Eng. Asp., 493, 18 (2016)
  45. Ji Y, Chen Y, Le J, Qian M, Huan Y, Yang W, et al., Desalination, 422, 165 (2017)
  46. Ali SA, Kazi IW, Rahman F, Desalination, 357, 36 (2015)
  47. Zuo Y, Yang W, Zhang K, Chen Y, Yin X, Liu Y, Crystals, 10 (2020)