Abstract
This thesis uses dissipative particle dynamics simulation to examinethe phase behavior of ternary bolaamphiphiles. These amphiphilicmolecules consist of a rod-like aromatic core, with polar groups at eachend and lateral chains. In order to figure out the influence of differentmolecular shapes, there are different shape of molecules are presented inthis paper. First, we simulate Double T- and Triple T- shapebolaamphiphiles and find out the special structure which the rigid unitstend to occupies eight vertices whilst lateral chains fill the insides. Next,we simulate Double +- and Triple +-shape bolaamphiphilies which withtwo chains in each sides. There are multiple lamellar structures aredemonstrated. We can observe single lamellar structure which is formedfrom rigid chains and lateral chains interlace in Double + shapebolaamphiphilies. And the double lamellar structure is also observed inTriple + shape bolaamphiphiles.To sum up, These phase morphologies show that we can control thethick of lamellar structures and demonstrate that we can obtain newpacking structure by varies the molecular shapes. Thus, we can performmore complex structure and develop new nano-materials in the comingfuture.Keywords