1. Self-assembly of surfactant 990535 황인찬

2. Contents 1. Surfactant and Micelle 2. The Reason for Studying Micelle 3. Simulation Method 4. Definition of Model System 5. Results 6. Conclusion 7. Furthermore

3. 1. Surfactant and Micelle Surfactant Hydrophilic molecules and Hydrophobia molecules Tail Head Micelle Assembly of surfactant Three types: Spherical Cylindrical Bilayer

4. 2. The Reason for Studying Micelle Micelle is used in various fields 1. Soap 2. 약물전달 3. Nanodrumpling

5. 3. Simulation Methods Monte-Carlo Method Metropolis Algorithm Molecular Dynamics Verlet Algorithm

6. 4. Definition of Model System ■ Interaction potentials Soft Core Potential Lenard-Jones Potential For simplicity, we have cutoff radius. HT, TW: Soft Core Potential HH,HW,TT,WW: Lenard-Jones Potential

7. 4. Definition of Model System ■ In a chain, Bond potential Bending potential

8. 4. Definition of Model System Determine Parameters To be realistic and physical. σ, ε : arbitrary parameters

9. 4. Definition of Model System Periodic Boundary Condition

10. 5. Results I failed to get successful results in 3D. - too much time consumption? or my program is wrong. I decided to get results in 2D

11. 5. Results L=12σ, ht2, Nh=5, Nw=90 c = 0.14 σ = 0.07 Є=1 MC step : 200,000 MD step : 200

12. 5. Results L=12σ, ht2, Nh=10, Nw=90 c = 0.25 σ = 0.07 Є=1 MC step : 200,000 MD step : 200

13. 5. Results L=12σ, ht2, Nh=20, Nw=50 c = 0.55 σ = 0.07 Є=1 MC step : 20,000 MD step : 200

14. 6. Conclusion Micelle has spherical shape at low density Micelle has bilayer shape at high density This is not mine. http://r-goetz.de/physics/self-assembly.html

15. 7. Furthermore To do in 3D with patience and changing parameters Check the mobility of surfactant and water Examine interfacial tension

16. Reference R. Goetz and R. Lipowsky, Computer simulation of bilayer membranes: Self- assembly and interfacial tension, J. Chem. Phys. 108, 17 (1998) D. Frenkel and B. Smit, Understanding Molecular Simulation (1996) W. M. Gelbart and A. Ben-Shaul, Micelles, Membranes, Microemulsions, and Monolayers, edtied by D. Roux. http://r-goetz.de/physics/self-assembly.html