Molecular dynamics simulation of wetting behavior at CO2/water/solid interfaces

Chinese Science Bulletin

Volumn 55, Issue 21, 2010, Pages 2252-2257

  Liu, Shu Yan ^a   Yang, Xiao Ning ^a   Qin, Yan ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

hydrophilic; hydrophobic; molecular simulation; solid surface; supercritical CO2; wettability

Indexed keywords

EID: 77955295966     PISSN: 10016538     EISSN: 18619541     Source Type: Journal    
DOI: 10.1007/s11434-010-3287-0     Document Type: Article

References (23)

1. International Technology Roadmap for Semiconductors. Semiconductor Industry Association, 2005.
2. DeSimone J M. Practical approaches to green solvents. Science, 2002, 297: 799-803.
3. Jones C A, Yang D, Irene E A, et al. HF etchant solutions in supercritical carbon dioxide for "Dry" etch processing of microelectronic devices. Chem Mater, 2003, 15: 2867-2869.
4. King J W, Williams L L. Utilization of critical fluids in processing semiconductors and their related materials. Curr Opin Solid Mater Sci, 2003, 7: 413-424.
5. Jones C A, Zweber A, DeYoung J P, et al. Applications of "dry" processing in the microelectronics industry using carbon dioxide. Critical Rev Solid State Mater Sci, 2004, 29: 97-109.
6. 2 fluid and modified silica surfaces. J Phys Chem C, 2008, 112: 12815-12824.
7. Keagy J A, Zhang X, Busch E, et al. Cleaning of patterned porous low-k dielectrics with water, carbon dioxide and ambidextrous surfactants. J Supercrit Fluids, 2006, 39: 277-285.
8. Zhang X, Pham J Q, Martinez H J, et al. Water-in-carbon dioxide microemulsion for removing postech residues from patterned porous low-k dialectrices. J Vacuum Sci Technol, 2003, B21: 2590-2598.
9. 2 promotes penetration and removal of aqueous hydrocarbon surfactant cleaning solutions and silylation in low-k dielectrics with 3 nm pores. J Supercrit Fluids, 2007, 42: 398-409.
10. 2/Water/Glass interface. Langmuir, 2006, 22: 2161-2170.
11. 2 environment and film thickness. Langmuir, 2007, 23: 9785-9793.
12. Lopes P E M, Murashov V, Tazi, M, et al. Development of an empirical force field for silica. Application to the quartz-water interface. J Phys Chem B, 2006, 110: 2782-2792.
13. Zhuravlev L T. The surface chemistry of amorphous silica. Zhuravlev model. Colloids Surface, A, 2000, 173: 1-38.
14. Yun J H, Duren T, Keil F J, et al. Adsorption of methane, ethane, and their binary mixtures on MCM-41: Experimental evaluation of methods for the prediction of adsorption equilibrium. Langmuir, 2002, 18: 2693-2701.
15. Furukawa S, Nishiumi T, Aoyama N, et al. A molecular simulation study on adsorption of Acetone/Water in mesoporous silicas modified by pore surface silylation. J Chem Eng Japan, 2005, 38: 999-1007.
16. Berendsen H J C, Grigera J R, Straatsma T P. The missing term in effective pair potentialst. J Phys Chem, 1987, 91: 6269-6271.
17. Higashi H, Iwai Y, Uchida H, et al. Diffusion coefficients of aromatic compounds in supercritical carbon dioxide using molecular dynamic simulation. J Supercrit Fluids, 1998, 13: 93-97.
18. Senapati S, Keiper J S, DeSimone J M, et al. Structure of phosphate fluorosurfactant based reverse micelles in supercritical carbon dioxide. Langmuir, 2002, 18: 7371-7376.
19. 2. J Am Chem Soc, 2004, 126: 10254-10255.
20. Fan C F, Cagin T. Wetting of crystalline polymer surfaces: A molecular dynamics simulation. J Chem Phys, 1995, 103: 9053-9061.
21. Chai J, Liu S, Yang X. Molecular dynamics simulations of wetting on modified amorphous silica surfaces. Appl Surf Sci, 2009, 255: 9078.
22. 2 with the adsorbed water layer and the surface hydroxyl groups of a silica surfaces. Langmuir, 1998, 14: 7348.
23. Bakaev V A, Steele W A, Pantano, C G. On the computer simulation of silicate glass surfaces. J Chem Phys, 2001, 114: 9599-9607.