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Quantitative Measurements of Polymer Hydrophobicity Based on Functional Group Identity and Oligomer Length
Macromolecules ( IF 5.1 ) Pub Date : 2018-10-17 00:00:00 , DOI: 10.1021/acs.macromol.8b01747 Nayanthara U. Dharmaratne 1 , Terra Marie M. Jouaneh 1 , Matthew K. Kiesewetter 1 , Robert T. Mathers 2
Macromolecules ( IF 5.1 ) Pub Date : 2018-10-17 00:00:00 , DOI: 10.1021/acs.macromol.8b01747 Nayanthara U. Dharmaratne 1 , Terra Marie M. Jouaneh 1 , Matthew K. Kiesewetter 1 , Robert T. Mathers 2
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A combined experimental and computational investigation revealed a hydrophobicity trend for oxygen-containing functional groups commonly encountered in monomers and polymers. Based on solvatochromatic dye experiments, HPLC retention times, and theoretical LogP values, the arrangement of the three oxygen atoms in carbonates results in more hydrophobicity than other permutations like anhydrides. Another trend emerged for functional groups with two oxygen atoms (acetals > esters). Overall, when comparing aliphatic polymers with similarly sized monomers, hydrophobicity decreased as follows: carbonates > acetals > esters > anhydrides. These trends have important implications for degradation, conductivity, and many other applications.
中文翻译：
基于官能团同一性和低聚物长度的聚合物疏水性定量测量
实验和计算研究相结合，揭示了单体和聚合物中常见的含氧官能团的疏水性趋势。根据溶剂化染料实验，HPLC保留时间和理论LogP值，碳酸盐中三个氧原子的排列比其他排列（如酸酐）具有更大的疏水性。具有两个氧原子的官能团出现了另一种趋势（缩醛>酯）。总的来说，当将脂肪族聚合物与尺寸相似的单体进行比较时，疏水性降低如下：碳酸盐>乙缩醛>酯>酸酐。这些趋势对降解，电导率和许多其他应用具有重要意义。
更新日期：2018-10-17
中文翻译：
基于官能团同一性和低聚物长度的聚合物疏水性定量测量
实验和计算研究相结合，揭示了单体和聚合物中常见的含氧官能团的疏水性趋势。根据溶剂化染料实验，HPLC保留时间和理论LogP值，碳酸盐中三个氧原子的排列比其他排列（如酸酐）具有更大的疏水性。具有两个氧原子的官能团出现了另一种趋势（缩醛>酯）。总的来说，当将脂肪族聚合物与尺寸相似的单体进行比较时，疏水性降低如下：碳酸盐>乙缩醛>酯>酸酐。这些趋势对降解，电导率和许多其他应用具有重要意义。
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