Nagda Bindi M, Du Jian, Lewis Owen L, Fogelson Aaron L
Florida Institute of Technology, Melbourne FL 32901, USA.
University of New Mexico, Albuquerque NM 87106, USA.
Comput Sci ICCS. 2023 Jul;14077:332-346. doi: 10.1007/978-3-031-36030-5_27. Epub 2023 Jun 26.
Ion-induced volume phase transitions in polyelectrolyte gels play an important role in physiological processes such as mucus storage and secretion in the gut, nerve excitation, and DNA packaging. Experiments have shown that changes in ionic composition can trigger rapid swelling and deswelling of these gels. Based on a previously developed computational model, we carry out 2D simulations of gel deswelling within an ionic bath. The dynamics of the volume phase transition are governed by the balance of chemical and mechanical forces on components of the gel. Our simulation results highlight the close connections between the patterns of deswelling, the ionic composition, and the relative magnitude of particle-particle interaction energies.
离子诱导的聚电解质凝胶体积相变在诸如肠道黏液储存与分泌、神经兴奋和DNA包装等生理过程中发挥着重要作用。实验表明,离子组成的变化能够引发这些凝胶的快速膨胀和收缩。基于先前开发的计算模型,我们对离子浴中凝胶的收缩进行了二维模拟。体积相变的动力学由凝胶组分上化学力和机械力的平衡所支配。我们的模拟结果突出了收缩模式、离子组成以及粒子间相互作用能的相对大小之间的紧密联系。