입자침적시 미세구조 변화 분석용 전산모사 모델

김헌; Rajagopalan R

HWAHAK KONGHAK, Vol.32, No.5, 659-666, October, 1994

Export Citation

입자침적시 미세구조 변화 분석용 전산모사 모델

Computer Simulation Model for the Analysis of Microstructural Changes during Particle Deposition

김헌, Rajagopalan R

초록

Hard-sphere입자들의 침전시 미세구조 및 부피분율과 같은 성질의 변화를 조사하기 위한 Monte Carlo 모사모델이 개발되었다. 다양한 입자계 및 공정조건의 영향을 분석하기 위한 주요 매개변수로서 Peclet 수가 사용되었다. 침적물이 결정구조를 형성하는 최적조건, 동적 상거동, 초기 부피분율의 영향, 복합분산입자들의 분리등이 검토되었다. 본 모델로 예측한 여러 결과들이 실험관찰과 정성적으로 잘 일치하는 것이 주목되었다. 본 모델은 여러 관련된 실험연구를 설계하는 간편하고도 효과적인 기구로서 사용될 수 있다.

A monte Carlo simulation model was developed to investigate the changes of microstructures and their properties such as packing fraction during the deposition of hard-sphere particles. As a major parameter Paclet number was used to analyze the effects of particulate systems and process conditions. The optimum conditions where the deposits form ordered structures, the dynamic phase behavior, the effects of initial volume fraction, the size fractionation of polydisperse particles, and so on were also examined. It was noted that a number of results predicted from the present model are in good qualitative agreement with experimental observations. The present model can be used as a simple and effective tool for designing a number of related experimental studies.

[References]

Safran SA, Clark NA, "Physics of Complex and Supramolecular Fluids," Wiley, New York (1987)
Hench LL, Ulrich DR, "Ultrastructure Processing of Ceramics, Glasses, and Composites," John Wiley & Sons, New York (1984)
Hench LL, Ulrich DR, "Science of Ceramic Chemical Processing," John Wiley & Sons, New York (1986)
Pusey PN, vanMegen W, Phys. Rev. Lett., 59, 2083 (1987)
Emmett S, Lubetkin SD, Vincent B, Colloids Surf., 43, 139 (1989)
Lubetkin SD, Wedlock DJ, Edwer CF, Colloids Surf., 44, 139 (1990)
Davis KE, Russel WB, Glantsching WJ, J. Chem. Soc.-Faraday Trans., 87, 411 (1991)
Kynch GJ, Trans. Faraday Soc., 48, 166 (1952)
Davis KE, Russel WB, Adv. Ceram., 21, 573 (1987)
Hoover WG, Ree FH, J. Chem. Phys., 49, 3609 (1968)
Woodcock LV, Ann. N.Y. Acad. Sci., 371, 274 (1981)
Binder K, "Monte Carlo Methods in Statistical Physics," 2nd ed., Springer-Berlag, Berlin (1986)
Kim H, Ph.D. Dissertation, University of Houston, Houston, Texas, Houston, U.S.A. (1991)

[Referenced By]

[1] Safran SA, Clark NA, "Physics of Complex and Supramolecular Fluids," Wiley, New York (1987)

[2] Hench LL, Ulrich DR, "Ultrastructure Processing of Ceramics, Glasses, and Composites," John Wiley & Sons, New York (1984)

[3] Hench LL, Ulrich DR, "Science of Ceramic Chemical Processing," John Wiley & Sons, New York (1986)

[4] Pusey PN, vanMegen W, Phys. Rev. Lett., 59, 2083 (1987)

[5] Emmett S, Lubetkin SD, Vincent B, Colloids Surf., 43, 139 (1989)

[6] Lubetkin SD, Wedlock DJ, Edwer CF, Colloids Surf., 44, 139 (1990)

[7] Davis KE, Russel WB, Glantsching WJ, J. Chem. Soc.-Faraday Trans., 87, 411 (1991)

[8] Kynch GJ, Trans. Faraday Soc., 48, 166 (1952)

[9] Davis KE, Russel WB, Adv. Ceram., 21, 573 (1987)

[10] Hoover WG, Ree FH, J. Chem. Phys., 49, 3609 (1968)

[11] Woodcock LV, Ann. N.Y. Acad. Sci., 371, 274 (1981)

[12] Binder K, "Monte Carlo Methods in Statistical Physics," 2nd ed., Springer-Berlag, Berlin (1986)

[13] Kim H, Ph.D. Dissertation, University of Houston, Houston, Texas, Houston, U.S.A. (1991)