The previous experiments indicated that the diamine derivatives low molecular mass organogelators with odd-numbered or even-numbered methylene groups between the two amide carbonyl groups presented distinctive morphology and charge transport properties.In the current work,the self-assembly of two diamine derivatives(N,N-1,8-octanediylbis-dodecanamide and N,N-1,9-nonanediylbis-dodecanamide)developed and used in our quasi-solid-state electrolytes has been investigated and characterized using molecular dynamics.Although the structure of the two these molecules is only different in one methylene,the simulations revealed that the self-assembly patterns of the two diamine derivatives are quite different.The differences seems to be suitable to explain the diverse morphologies formed by the assembly of N,N-1,8-octanediylbis-dodecanamide and N,N-1,9-nonanediylbis-dodecanamide,respectively and hopefully to shed light on the selection of proper diamine candidates for the preparation of quasi-solide-state electrolytes for dye-sensitized solar cells.