Prediction of the Droplet Size of Nonionic Urethane Acrylate Emulsions

Jong Heon Park; No-Hyung Park; Sung-Jae Choi; Kyung-Do Suh

Journal of Industrial and Engineering Chemistry, Vol.3, No.4, 263-268, December, 1997

Jong Heon Park , No-Hyung Park¹, Sung-Jae Choi², and Kyung-Do Suh¹

Dept. of Chemical Engineering, Samchok National University, Kangwondo 245-080, Korea
¹Division of Chemical Engineering, College of Engineering, Hanyang University, Seoul 133-791, Korea
²Dept. of Chmical Indstry, Dankook University, Chungnam 330-714, Korea

To predict emulsion droplet size of PEG-modified urethane acrylate (PMUA) which are emulsified in the absence of surfactants, when the steric repulsive potential is dominant, simulation methods and various equations of steric hindrance of nonionic surfactants were used. Lennard-Jones potential was used to describe the interactions of hydrophilic-hydrophilic, hydrophilic-hydrophobic, and hydrophobic-hydrophobic and the movements of chains. Various equations for description of the steric hindrance of polyoxyethylene chains are also used as correction parameters of interaction between other droplets. The results of simulations were relatively similar to those of measured. Most of correction parameters were determined by experiments, and several parameters were treated as variables.

[References]

Ficham D, J. Mol. Graphics, 12, 29 (1994)
Nguyen HL, Khanmohammadbaigi H, Clementi E, J. Comput. Chem., 6, 634 (1985)
Dudowicz J, Freed KF, Madden WG, Macromolecules, 23, 4803 (1990)
Chakrabarti A, Toral R, J. Chem. Phys., 91, 5687 (1989)
Balazs AC, Hu JY, Lentvorski AP, Phys. Rev., A, 41, 2109 (1990)
Karaborni S, Essenlink K, Hilbers PA, Smit B, J. Phys. Chem., 6, A351 (1990)
Smit B, Essenlink K, Hilbers PA, Rupers LAM, Langmuir, 9, 9 (1993)
Smit B, Essenlink K, Hilbers PA, Rupers LAM, Colloids Surf. A: Physicochem. Eng. Asp., 91, 155 (1994)
Kim JY, Suh KD, Macromol. Chem. Phys., 197, 2429 (1996)
Kim JY, Suh KD, Polym. Bull., 36(6), 737 (1996)
Song ME, Kim JY, Suh KD, J. Appl. Polym. Sci., 62(11), 1775 (1996)
Song ME, Kim JY, Suh KD, J. Coat. Technol., 68, 43 (1996)
Kim JY, Suh KD, Colloid Polym. Sci., 274, 1025 (1996)
Kim JY, Suh KD, Colloid Polym. Sci., 274, 920 (1996)
Park NH, Suh KD, Kim JY, J. Appl. Polym. Sci., 64(13), 2657 (1997)
Suh KD, Chon YS, Kim JY, Polym. Bull., 38(3), 287 (1997)
Park KY, Kim JY, Suh KD, Polym. Bull., in press
Kim JY, Suh KD, J. Appl. Polym. Sci., in press
David J, Staley HB, "Analytical Chemistry of Polyurethanes, high. Polymer Series XVI, Part III," Wiley Interscience, New York (1969)
Sagitani H, JAOCS, 53, 738 (1981)
Tajima K, Koshinuma K, Colloid Polym. Sci., 270, 759 (1992)
Tadros TF, Vicent B, "Encyclopedia of Emulsion Technology," 1, Marcel Decker, New York, 129
Verdier PH, Stockmeyer WH, J. Chem. Phys., 36, 227 (1962)
Chokki Y, J. Takeda Res. Lab., 34, 224 (1975)
Fujida S, Yoshinaga K, Chokki Y, J. Takeda Res. Lab., 34, 180 (1975)
Chokki Y, J. Jpn. Soc. Colour Mater., 45, 88 (1972)
Friberg S, J. Colloid Interface Sci., 37, 291 (1976)
Mackor EL, J. Colloid Sci., 6, 490 (1951)
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[Referenced By]

[Related Articles]

[1] Ficham D, J. Mol. Graphics, 12, 29 (1994)

[2] Nguyen HL, Khanmohammadbaigi H, Clementi E, J. Comput. Chem., 6, 634 (1985)

[3] Dudowicz J, Freed KF, Madden WG, Macromolecules, 23, 4803 (1990)

[4] Chakrabarti A, Toral R, J. Chem. Phys., 91, 5687 (1989)

[5] Balazs AC, Hu JY, Lentvorski AP, Phys. Rev., A, 41, 2109 (1990)

[6] Karaborni S, Essenlink K, Hilbers PA, Smit B, J. Phys. Chem., 6, A351 (1990)

[7] Smit B, Essenlink K, Hilbers PA, Rupers LAM, Langmuir, 9, 9 (1993)

[8] Smit B, Essenlink K, Hilbers PA, Rupers LAM, Colloids Surf. A: Physicochem. Eng. Asp., 91, 155 (1994)

[9] Kim JY, Suh KD, Macromol. Chem. Phys., 197, 2429 (1996)

[10] Kim JY, Suh KD, Polym. Bull., 36(6), 737 (1996)

[11] Song ME, Kim JY, Suh KD, J. Appl. Polym. Sci., 62(11), 1775 (1996)

[12] Song ME, Kim JY, Suh KD, J. Coat. Technol., 68, 43 (1996)

[13] Kim JY, Suh KD, Colloid Polym. Sci., 274, 1025 (1996)

[14] Kim JY, Suh KD, Colloid Polym. Sci., 274, 920 (1996)

[15] Park NH, Suh KD, Kim JY, J. Appl. Polym. Sci., 64(13), 2657 (1997)

[16] Suh KD, Chon YS, Kim JY, Polym. Bull., 38(3), 287 (1997)

[17] Park KY, Kim JY, Suh KD, Polym. Bull., in press

[18] Kim JY, Suh KD, J. Appl. Polym. Sci., in press

[19] David J, Staley HB, "Analytical Chemistry of Polyurethanes, high. Polymer Series XVI, Part III," Wiley Interscience, New York (1969)

[20] Sagitani H, JAOCS, 53, 738 (1981)

[21] Tajima K, Koshinuma K, Colloid Polym. Sci., 270, 759 (1992)

[22] Tadros TF, Vicent B, "Encyclopedia of Emulsion Technology," 1, Marcel Decker, New York, 129

[23] Verdier PH, Stockmeyer WH, J. Chem. Phys., 36, 227 (1962)

[24] Chokki Y, J. Takeda Res. Lab., 34, 224 (1975)

[25] Fujida S, Yoshinaga K, Chokki Y, J. Takeda Res. Lab., 34, 180 (1975)

[26] Chokki Y, J. Jpn. Soc. Colour Mater., 45, 88 (1972)

[27] Friberg S, J. Colloid Interface Sci., 37, 291 (1976)

[28] Mackor EL, J. Colloid Sci., 6, 490 (1951)

[29] Ottewill RH, Walker J, Kolloid Z., 227, 108 (1968)

[30] Hesselink FT, Vrij A, J. Phys. Chem., 25, 2094 (1971)

[31] Scher F, Kolloid Z., 160, 20 (1958)