pH-induced conformational changes of comb-like polycarboxylate investigated by experiment and simulation
- Resource Type
- Authors
- Huaxin Zhou; Jiaping Liu; Ran Qianping; Yong Yang; Qian Zhang; Xin Shu; Hongxia Zhao
- Source
- Colloid and Polymer Science. 294:1705-1715
- Subject
- chemistry.chemical_classification
Polymers and Plastics
Ether
02 engineering and technology
Polymer
010402 general chemistry
021001 nanoscience & nanotechnology
Methacrylate
01 natural sciences
0104 chemical sciences
chemistry.chemical_compound
Colloid and Surface Chemistry
chemistry
Methacrylic acid
Polymer chemistry
Materials Chemistry
Molecule
Physical and Theoretical Chemistry
0210 nano-technology
Ethylene glycol
Acrylic acid
Methyl group
- Language
- ISSN
- 1435-1536
0303-402X
Four types of polycarboxylate ether (PCE) polymers with consistent backbone length and side-chain (poly(ethylene glycol) monomethyl ether methacrylate MAA-M2000) length but different ratios of acrylic acid (AA) to methacrylic acid (MAA) were synthesized. The ratio of the methyl group would directly affect the backbone stiffness and hydrophobicity of the PCE. Laser light scattering (LLS) and molecular dynamic (MD) simulations were used to investigate the conformations of PCE at various pH values. It was found that the conformation of PCE remained more extended with the decrease of ratio of the backbone methyl group, which resulted in a low exposed extent of carboxylic groups on the backbone at the same ionization degree. The complexation of the carboxylic oxygen atoms of PCE with Ca2+ indicated that the differences of the complexing capacity resulted from the differences in the spatial distribution of carboxylic groups, which depended on the solution conformation of PCE molecules.