Abstract
In this work, a molecular modeling method was used to investigate the interactions between PAMAM with different generations and silica acid molecules in neutral solution. The calculated results show that adsorption interactions of silicic acid molecules with the generation 2.0 PAMAM molecule are stronger than those with the generation 1.5 PAMAM molecule. The adsorption interactions are dominated by electrostatic interactions, vdW interactions as well as O⋯H-O and C-H⋯O H- bond interactions. We qualitatively discuss the effect of PAMAM molecules on the silica polymerization in neutral solution, where the inhibition effect of generation 2.0 is better than that of generation 1.5. The theoretical discussion is in reasonable agreement with experiment results.
Similar content being viewed by others
References
Dubin L (1985) US Patent: 4532047
Weng PF (1995) Desalination 2:59–67
Flikkema E, Jelfs KE, Bromley ST (2012) Chem Phys Lett 554:117–122
Tomalia D, Baker H, Dewald J, Hall M, Kallos G, Martin S, Roeck J, Ryder J, Smith P (1985) Polym J 17:117–132
Tomalia DA (2005) Prog Polym Sci 30:294–324
Yiyun C, Jiepin Y (2005) Color Technol 121:72–75
Diallo MS, Christie S, Swaminathan P, Johnson JH, Goddard WA (2005) Environ Sci Technol 39:1366–1377
Zhang B, Sun P, Chen F, Li F (2012) Colloids Surf A Physicochem Eng Asp 410:159–169
Demadis KD (2005) J Chem Technol Biotechnol 80:630–640
Mavredaki E, Neofotistou E, Demadis KD (2005) Ind Eng Chem Res 44:7019–7026
Neofotistou E, Demadis KD (2004) Colloids Surf A: Phys Eng Aspects 242:213–216
Neofotistou E, Demadis KD (2004) Desalination 167:257–272
Hädicke E, Rieger J, Rau IU, Boeckh D (1999) Phys Chem Chem Phys 1:3891–3898
Chen CY, Lei W, Xia MZ, Wang FY, Gong XD (2013) Desalination 309:208–212
Chen CY, Lei W, Xia MZ, Wang FY, Gong XD (2012) JMM 18:4007–4012
Shi WY, Lei W, Xia MZ, Wang FY (2013) Desalination 322:137–143
Ritwiset A, Krongsuk S, Johns JR (2016) Appl Surf Sci 380:23–31
Shi WY, Ding C, Yan JL, Han XY, Lv ZM, Lei W, Xia MZ, Wang FY (2012) Desalination 291:8–14
Materials Studio 4.0 (2007) Accelrys, San Diego
Sheikholeslami R, Tan S (1999) Desalination 126:267–280
Bremere I, Kennedy M, Mhyio S, Jaljuli A, Witkamp GJ, Schippers J (2000) Desalination 3:89–100
Sun H (1998) J Phys Chem B 102:7338–7364
Chen G, Lei W, Xia MZ, Wang FY, Gong XD (2014) J Phys Chem A 118:11471–11478
Chen G, Lei W, Xia MZ, Wang FY, Gong XD (2014) Can J Chem 92:849–854
Zhong T, Ai P, Zhou J (2011) Fluid Phase Equilib 302:43–47
Desiraju GR (2002) Acc Chem Res 35:565–573
Li C, Choi P (2008) J Phys Chem C 112:10145–10152
Falcone JS (1982) ACS Symposium Series
Chan S, Chen Z, He P (1995) J Heat Transfer 117:323–328
Acknowledgments
This work was funded by “Jiangsu Youth Funding Program BK20150464”.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Chen, C.Y., Zhang, Y., Jiao, L.N. et al. Study on the Mechanism of the Interactions Between the Dendritic Macromolecule PAMAM and Silicic Acids in Neutral Solution. Silicon 10, 1497–1502 (2018). https://doi.org/10.1007/s12633-017-9632-z
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12633-017-9632-z