Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2015, Vol. 26 ›› Issue (3): 030504 doi: 10.13538/j.1001-8042/nst.26.030504


The Gibbs-free-energy landscape for the solute association in nanoconfined aqueous solutions

ZHAO Liang,1, 2 WANG Chun-Lei, 1 FANG Hai-Ping,1 and TU Yu-Song, 3   

  1. 1Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
    2University of Chinese Academy of Sciences, Beijing 100049, China
    3College of Physics Science and Technology, Yangzhou University, Yangzhou 225009, China
  • Contact: TU Yu-Song
  • Supported by:

    Supported by National Science Fund for Outstanding Young Scholars (No. 11422542), Key Research Program of the Chinese Academy of Sciences (No. KJZD-EW-M03), Knowledge Innovation Program of Chinese Academy Sciences, the High Performance Computing Center of Shanghai University (No. ZQ4000) and Shanghai Supercomputer Center of China

ZHAO Liang, WANG Chun-Lei, FANG Hai-Ping, and TU Yu-Song. The Gibbs-free-energy landscape for the solute association in nanoconfined aqueous solutions.Nuclear Science and Techniques, 2015, 26(3): 030504     doi: 10.13538/j.1001-8042/nst.26.030504


The theoretical model and the numerical analyses on the Gibbs-free-energy of the association states of amphiphilic molecules in nanoconfined aqueous solutions are presented in detail. We exhibit the continuous change of the Gibbs-free-energy trend, which plays a critical role in the association states of the system transforming from the dispersion state, through the “reversible state”, and finally to the aggregation state in amphiphilic molecule solutions. Furthermore, for the “reversible state”, we present the difference in the free-energy barrier heights of the dispersion state and aggregation state, resulting from the competition between the entropy, which makes the solute molecules evenly disperse in the solution and the energy contribution driving the amphiphilic molecules to aggregate into a larger cluster. These findings provide a comprehensive understanding of confinement effects on the solute association processes in aqueous solutions and may further improve the techniques of material fabrication.

Key words: Gibbs-free-energy barrier, Dispersion, Aggregation, Nanoconfinement