탄산칼슘에 대한 테트라에틸암모늄 히드록사이드의 표면처리 모사

이광형; 정태수; Kwang hyung Lee; Tai Soo Chung

Journal of the Korean Industrial and Engineering Chemistry, Vol.11, No.1, 75-79, February, 2000

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탄산칼슘에 대한 테트라에틸암모늄 히드록사이드의 표면처리 모사

Simulation of Calcium Carbonte Surface Treated by Tetraethylammonium Hydroxide

이광형, 정태수^†

성균관대학교 화학공학과, 수원 440-746

Kwang hyung Lee, and Tai Soo Chung^†

Department of Chemical Engineering, Sungkyunkwan University, Suwon 440-746, Korea

E-mail:

초록

탄산칼슘 표면에 대한 테트라에틸암모늄 히드록사이드의 처리에 관한 컴퓨터모사에 대하여 Monte Carlo method를 이용하여 흡착현상에 대한 연구를 수행하였다. 칼사이트 탄산칼슘의 위치에너지는 테트라에틸암모늄 히드록사이드 0.77wt%에서 가장 낮았다. 컴퓨터모사에서 구한 에틸렌 글리콜과 물에서의 처리제의 양은 0.31wt%와 0.61wt%로 나타났다. 탄산칼슘과 테트라에틸암모늄 히드록사이드에서의 분산성은 처리량에 따라 영향이 크다는 사실을 알 수 있었다. 칼사이트형 탄산칼슘에 대한 모사결과는 점도의 실험결과와 유사하게 나타났다.

A Monte Carlo method computer simulation of the tetrraehylammonium hydroxide on calcium carbonate surface was performed to investigate the adsorption phenomena. In calcite calcium carbonate, the potential energy was the lowest at 0.77wt% tetraethylammonium hydroxide. The amount of surfactant by the computer simulation in ethylene glycol and water was 0.31wt% and 0.61 wt%, respectively. It was found that the dispersion between calcium carbonate surface and tetraithylammonium hydroxide was greatly affected by the amount of surfactant. The results of the simulation on calcite type calcium carbonate agreed quite well with the experimental viscosity results.

Keywords:simulation;Monte Carlo method;calcium carbonate;dispersion;tetraethylammonium hydroxide

[References]

Ueda Y, Komatu K, Shimizu S, Nishioka H, Hanazaki M, Minayoshi S, Gypsum Lime, 249, 13 (1994)
Abeboitz K, Convert-Tech., 11, 6 (1997)
Seo YS, "Powder Technology," 51, Electric Wave Tec. Co., Seoul (1986)
Didymus JM, Mann S, Benton WJ, Collins IR, Langmuir, 11(8), 3130 (1995)
Georage RU, Charlotte NC, U.S. Patent, 4,028,307 (1977)
Kook YH, Lee JM, Cho HC, "Colloid and Surfactant," 2nd ed., 19, Taekwang Books, Seoul (1986)
Colic M, Fuerstenau DW, Langmuir, 13(25), 6644 (1997)
Shaw DJ, "Introduction to Colloid and Surface Chemistry," 4th ed., 174, Butterworth-Heinemann Ltd., Oxford (1992)
Heermann DW, "Computer Simulation Methods in Theoretical Physics," 1st ed., 68, Berlin (1986)
Castonguary LA, Rappe AK, J. Am. Chem. Soc., 114, 5832 (1992)
Moore WJ, "Basic Physical Chemistry," 1st ed., 352, Prentice-Hall Inc., New Jersey (1983)
Cerius, Molecular Simulation Inc. (MSI), San Diego (1997)
Robinson JW, "Practical Handbook of Spectroscopy," 160, CRC Press, Inc., Boca Raton (1991)
Joint Committee on Powder Diffraction Standards (JCPDS) International Centre for Diffraction Data, "Inorganic Phases,", 82 (1986)

[Referenced By]

[1] Ueda Y, Komatu K, Shimizu S, Nishioka H, Hanazaki M, Minayoshi S, Gypsum Lime, 249, 13 (1994)

[2] Abeboitz K, Convert-Tech., 11, 6 (1997)

[3] Seo YS, "Powder Technology," 51, Electric Wave Tec. Co., Seoul (1986)

[4] Didymus JM, Mann S, Benton WJ, Collins IR, Langmuir, 11(8), 3130 (1995)

[5] Georage RU, Charlotte NC, U.S. Patent, 4,028,307 (1977)

[6] Kook YH, Lee JM, Cho HC, "Colloid and Surfactant," 2nd ed., 19, Taekwang Books, Seoul (1986)

[7] Colic M, Fuerstenau DW, Langmuir, 13(25), 6644 (1997)

[8] Shaw DJ, "Introduction to Colloid and Surface Chemistry," 4th ed., 174, Butterworth-Heinemann Ltd., Oxford (1992)

[9] Heermann DW, "Computer Simulation Methods in Theoretical Physics," 1st ed., 68, Berlin (1986)

[10] Castonguary LA, Rappe AK, J. Am. Chem. Soc., 114, 5832 (1992)

[11] Moore WJ, "Basic Physical Chemistry," 1st ed., 352, Prentice-Hall Inc., New Jersey (1983)

[12] Cerius, Molecular Simulation Inc. (MSI), San Diego (1997)

[13] Robinson JW, "Practical Handbook of Spectroscopy," 160, CRC Press, Inc., Boca Raton (1991)

[14] Joint Committee on Powder Diffraction Standards (JCPDS) International Centre for Diffraction Data, "Inorganic Phases,", 82 (1986)