探索pNIPAM lyogels：多种有机溶剂及混合物中溶胀平衡的实验研究，辅以COSMO-RS分析
Exploring pNIPAM Lyogels: Experimental Study on Swelling Equilibria in Various Organic Solvents and Mixtures, Supported by COSMO-RS Analysis
AI总结：
本研究针对pNIPAM溶剂凝胶的溶剂响应溶胀特性，结合实验与COSMO-RS热力学建模，揭示氢键对其在纯溶剂及混合溶剂中溶胀行为的主导作用，为智能反应器应用提供支撑。
摘要：
刺激响应性lyogels（溶剂凝胶）因能响应外部触发发生显著宏观变化，被视为智能材料。凭借多样且独特的性质，智能溶剂凝胶在药物递送、驱动过程等诸多应用中展现出巨大潜力。聚-N-异丙基丙烯酰胺（pNIPAM）作为广为人知的热响应材料，同时也表现出显著的溶剂响应溶胀行为：极性溶剂因与酰胺基形成氢键会引发强溶胀，而非极性溶剂则会导致溶剂凝胶明显收缩。本研究旨在探究并建模该行为，以用于未来化学或生化反应器的相关应用。将智能水凝胶技术整合入（生物）化学反应器是当前研究热点，可推动智能反应器系统的发展。研究采用gE模型COSMO-RS（真实溶剂似导体屏蔽模型）对pNIPAM的单体或低聚物进行热力学建模，可观察到溶剂-聚合物相互作用与溶胀度之间的关联。pNIPAM衍生物在溶胀度大的极性溶剂中具有较低的无限稀释活度系数（IDACs），而在非极性溶剂中IDACs则会升高。氢键不仅在纯溶剂中主导溶剂凝胶的溶胀行为，在极性不同的溶剂混合物中同样如此。即便在非极性溶剂占比很高的混合物中，由于极性溶剂被吸入溶剂凝胶基质，也能观察到高溶胀度。该效应不仅存在于二元溶剂混合物中，在醇和羧酸碳链长度不同的酯化反应的代表性混合物中也可观察到。
英文摘要：
Stimuli-responsive lyogels are considered to be smart materials due to their capability of undergoing significant macroscopic changes in response to external triggers. Due to their versatile and unique properties, smart lyogels exhibit great potential in various applications such as drug delivery or actuation processes. While Poly-N-isopropylacrylamide (pNIPAM) is widely known as a thermo-responsive material, it also shows significant solvent-responsive swelling behavior. As polar solvents induce strong swelling due to hydrogen bonding with the amide group, nonpolar solvents lead to significant shrinkage of the lyogels. The aim of this study is to investigate and to model this behavior for future application in chemical or biochemical reactors. As a current area of research, incorporating smart hydrogel technology into (bio-)chemical reactors facilitates the development of smart reactor systems. Applying thermodynamic modelling with the gE model COSMO-RS on the monomer or oligomers of pNIPAM, the correlation between solvent-polymer interactions and the degree of swelling can be observed. pNIPAM derivatives exhibit low infinitive dilution activity coefficients (IDACs) in polar solvents with large degrees of swelling, while displaying an increase of IDACs in nonpolar solvents. Hydrogen bonds dominate the swelling behavior of lyogels not only in pure solvents but also in mixtures of solvents with varying polarity. Even in mixtures containing high amounts of nonpolar solvents, large degrees of swelling were observed due to the uptake of the polar solvent in the lyogel matrix. This effect can be observed in binary solvent mixtures but also in representative mixtures along an esterification reaction with varying carboxylic chain length of alcohol and carboxylic acids.
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