ИСТИНА

Crystallization of polymers was discovered a long time ago, but still the processes, which play a key role in formation of crystalline structures, are not fully understood. Main aim of our research is an investigation of the mechanisms of formation of crystalline clusters in a solution of semiflexible polymers under various conditions. We perform dissipative particle dynamics (DPD) computer simulations [1] using our own program code, and we consider very long semiflexible chains within tangent spheres model [2]. Different systems have been studied: • Single chains of 10 000 beads long, in very poor solvent. • Concentrated solutions of macromolecules of the length 1000 beads with a polymer fraction 20%, 70%, 90% and 95% and poor solvent. We analyze pair density-density correlation function, static structure factor, and perform clustering analysis to characterize the size and the form of obtained crystallites. We have also studied the contact probability between monomer units along the chain. We acknowledge the financial support from RFBR Grant No. 15-03-99516 А References: [1] R.D. Groot, P.B. Warren, J. Chem. Phys. 107 (11), 1997. [2] C. Vega, C. McBride, and L. G. MacDowell, J. Chem. Phys. 115, 4203, 2001. [3] A. Chertovich and P. Kos, J. Chem. Phys., 141, 134903, 2014.