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首页> 外文期刊>Chinese science bulletin >Interaction between dodecyl oxypropyl β-hydroxyltrimethylammonium bromide and Xanthan: MesoDyn simulation and binding isotherm measurements
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Interaction between dodecyl oxypropyl β-hydroxyltrimethylammonium bromide and Xanthan: MesoDyn simulation and binding isotherm measurements

机译：十二烷基氧丙基β-羟基三甲基溴化铵与黄原胶之间的相互作用：MesoDyn模拟和结合等温线测量

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摘要

MesoDyn density functional simulation method is used to study the interactions between dodecyl oxypropyl β-hydroxyltrimethylammonium bromide (C_(12)NBr) and Xanthan (XC). The micro dynamic process of aggregate formation and the aggregate morphology are reported. Interaction between XC and nonyphenyloxypropyl β-hydroxyltrimethylammonium bromide (C_9phNBr) is compared with that between XC and C_(12)NBr. Simulation results show that the aggregate morphology of XC/C_(12)NBr and XC/CgphNBr is of rod-like shape with helix characteristic. The binding of C_9phNBr to XC is more difficult than that of C_(12)NBr to XC. In addition, three stages for the dynamic evolution of surfactant binding to XC are observed. The simulation results agree with binding isotherms of C_9phNBr (C_(12)NBr) to XC obtained via the potentiometric titration method, which shows a typical cooperative binding between C_9phNBr (C_(12)NBr) and XC.
机译：用MesoDyn密度泛函模拟方法研究了十二烷基氧丙基β-羟基三甲基溴化铵（C_（12）NBr）和黄原胶（XC）之间的相互作用。报告了聚集体形成的微观动力学过程和聚集体形态。比较了XC和壬基苯氧基丙基β-羟基三甲基溴化铵（C_9phNBr）与XC和C_（12）NBr之间的相互作用。仿真结果表明，XC / C_（12）NBr和XC / CgphNBr的聚集体形态为具有螺旋特征的棒状。 C_9phNBr与XC的结合比C_（12）NBr与XC的结合更困难。另外，观察到表面活性剂与XC结合的动态演变的三个阶段。模拟结果与通过电位滴定法获得的C_9phNBr（C_（12）NBr）与XC的结合等温线吻合，显示了C_9phNBr（C_（12）NBr）与XC之间的典型协同结合。

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