Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (04): 706-714.doi: 10.3866/PKU.WHXB201301313

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles     Next Articles

Relationship between Molecular Configuration and Phase Behavior of Partially Hydrolyzed Hydrophobically Modified Polyacrylamide

YUAN Rui1, LI Ying1, FANG Hong-Bo2, WANG Wei2   

  1. 1 Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, Shandong University, Jinan 250100, P. R. China;
    2 Design Institute, Shengli Oilfield, Dongying 257015, Shandong Province, P. R. China
  • Received:2012-10-26 Revised:2013-01-30 Published:2013-03-25
  • Supported by:

    The project were supported by the National Natural Science Foundation of China (21173134) and National Municipal Science and Technology Project, China (2008ZX05011-002).

Abstract:

The relationship between the molecular configuration and bulk behavior of partially hydrolyzed hydrophobically modified polyacrylamide (HMHPAM) in aqueous solution was studied via dissipative particle dynamics (DPD) simulation. The influence of the polymer concentration, polymerization process, degree of hydrolysis, and the hydrophobic modified group of HMHPAM on the polymer solution, especially the extent of expansion of the polymer and the viscosity of the polymer solution, were investigated quantitatively by calculating the root-mean-square (RMS) end-to-end distance of the polymer and the water molecule diffusivity. The influencing mechanisms of the type and the arrangement of the repeating unit of the polymer chains on the HMHPAM solution properties were studied to direct the practical synthesis, modification, and application of the polymer.

Key words: Partially hydrolyzed hydrophobically modified polyacrylamide, Molecular configuration, RMS end-to-end distance, Diffusivity, Dissipative particle dynamics simulation

MSC2000: 

  • O648