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Mechanism of Temperature Resistance of AM/AANa/AMPSNa Copolymer Based on Molecular Simulation
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Xiao-na HU, Zhuo YI, Xi LIU, Rui-qi ZHANG, Ya-jing LI, Jin-biao YANG
Science Technology and Engineering | 2025, 25(1) : 157 - 164
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Science Technology and Engineering | 2025, 25(1): 157-164
Papers·Petroleum and Natural Gas Industry
Mechanism of Temperature Resistance of AM/AANa/AMPSNa Copolymer Based on Molecular Simulation
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Xiao-na HU, Zhuo YI, Xi LIU, Rui-qi ZHANG, Ya-jing LI, Jin-biao YANG
Affiliations
  • SINOPEC (Beijing)Research Institute of Chemical Industry Co., Ltd., Beijing 100013, China
Published: 2025-01-08 doi: 10.12404/j.issn.1671-1815.2400380
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In order to study the solution properties of polyacrylamide at high temperatures at the molecular-atomic scale, the molecular models of partially hydrolyzed polyacrylamide(HPAM) and AM/AANa/AMPSNa copolymer [P(AM/AANa/AMPSNa)] have been established through a combination of experimental methods and molecular dynamics simulations. The solution properties of the two polymers at elevated temperatures were systematically investigated in terms of polymer chain rigidity and flexibility, hydrogen bonding, hydration layer, interaction energy and the effect of salt cation, and the micro-mechanism of temperature resistance of P(AM/AANa/AMPSNa) was explained. The results show that the introduction of side chains containing methyl and sulfonated groups into the molecular chain of P(AM/AANa/AMPSNa) could increase the rigidity of the molecular chain, more hydrogen bonds are formed between sulfonated groups and water and has longer lifetime. At the same time, the strong polar sulfonic acid group makes the hydration layer denser, which results in the weaker static shielding effect of the cations on the P(AM/AANa/AMPSNa). Under different temperature conditions, P(AM/AANa/AMPSNa) has stronger intermolecular non-bonding interactions, stronger water retention effect of the molecular chain at the microscopic level, and higher viscosity at the macroscopic level.

polymers  /  solution  /  kinetics  /  molecular simulation  /  microscale
Xiao-na HU, Zhuo YI, Xi LIU, Rui-qi ZHANG, Ya-jing LI, Jin-biao YANG. Mechanism of Temperature Resistance of AM/AANa/AMPSNa Copolymer Based on Molecular Simulation[J]. Science Technology and Engineering, 2025 , 25 (1) : 157 -164 . DOI: 10.12404/j.issn.1671-1815.2400380
Year 2025 volume 25 Issue 1
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doi: 10.12404/j.issn.1671-1815.2400380
  • Receive Date:2024-01-12
  • Online Date:2025-07-29
  • Published:2025-01-08
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  • Received:2024-01-12
  • Revised:2024-09-29
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    SINOPEC (Beijing)Research Institute of Chemical Industry Co., Ltd., Beijing 100013, China
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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