Challenge and adventure: twenty years of searching for the model structure of the polyaniline/camphorsulfonic acid conducting polymer system leading to an artificial intelligence approach

摘要

The search for the model structure of polyaniline/camphorsulfonic acid (PANI/CSA) began approximately twenty years ago and remained an unsolved problem. Recently, a new molecular dynamics based model was published in which the system forms a structure of alternating double layers. Having brought together all available information regarding the system, an artificial intelligence approach was formulated, which resulted in finding a model of the crystalline regions of the polymer system in agreement with various experimental results. The approach is thoroughly described due to its versatility.