Adsorption-desorption of Hydrogen Bonding Fluid Confined in a Spherical Cavity: the Role of Surface Regulation†

doi:10.7503/cjcu20160078

Abstract

Abstract:

The effect of surface regulation on the phase behavior of hydrogen bonding(HB) fluid confined in a nano-spherical cavity was investigated by phase equilibrium thermodynamics. We tried to reveal the important role of cavity surface playing in the adsorption-desorption transition of confined HB fluid when the fluid-surface interaction is a square-well potential. In this study, density functional theory for classical fluids was used together with the modified fundamental measure theory. It was found that the cavity surface could give rise to significant effects on the critical temperatures, critical densities and phase regions of layering transition and capillary condensation. As a result, one can regulate the phase equilibria and aggregated state of the HB fluid by changing the strength and range of fluid-surface interaction and the radius of spherical cavity. It is expected that the present study is helpful to design related adsorption materials or to study the phase behavior of nano-fluids.

Key words: Hydrogen bonding fluid, Adsorption-desorption, Capillary condensation, Layering transition, Phase equilibria

CLC Number:

O641

TrendMD:

LI Jiangtao, LIU Shujing, GU Fang, WANG Haijun. Adsorption-desorption of Hydrogen Bonding Fluid Confined in a Spherical Cavity: the Role of Surface Regulation^†[J]. Chem. J. Chinese Universities, 2016, 37(9): 1710.

Figures/Tables 7

Fig.1 Adsorption-desorption isotherms and the corresponding grand potential isotherms for Hydrogen bonding(HB) fluid of A2D2 type Condition: R=7.5σ; λ=0.75; T*=3.3; εsw/ε=25.

Fig.2 Adsorption-desorption isotherms for HB fluid of A2D2 type for different T* Condition: R=7.5σ; λ=0.75; εsw/ε=25, where T* from left to right is 3.2 to 3.8 with interval of 0.1.

Fig.3 Density profiles of gas-like(hollow line) and liquid-like(solid line) HB fluid of A2D2 type for different strengthen parameters R=7.5σ; λ=0.5; T*=3.6, εsw/ε: ◇ ◆ 10; □ ■ 15; △ ▲ 20; ○ ● 25.

Fig.4 Density profiles of gas-like(hallow line) and liquid-like(solid line) HB fluid of A2D2 type for different range parameters λ R=7.5σ; λ=15; T*=3.6, λ: ○ ● 0.25; □ ■ 0.50; △ ▲ 0.75.

Fig.5 Phase diagram of confined HB fluid of A2D2 type for different R values Condition: εsw/ε=25; λ=0.75.

Fig.6 Phase diagram of confined HB fluid of A2D2 type for different εsw/ε values Condition: R=7.5σ; λ=0.75.

Fig.7 Phase diagram of confined HB fluid of A2D2 type for different λ values Condition: R=7.5σ, εsw/ε=25.

References 41

[1]	József T., Adsorption: Theory, Modeling and Analysis, Marcel Dekker, New York, 2002, 105—173
[2]	Dunne L. J., Manos G., Adsorption and Phase Behavior in Nanochannels and Nanotubes, Springer, New York, 2010, 241—255
[3]	Evans R., J Phys.: Condens. Matter, 1990, 2(46), 8989—9007
[4]	Malo B. M., Pizio O., Patrykiejew A., Sokolowski S., J. Phys.: Condens. Matter,2001, 13(7), 1361—1379
[5]	Hadjiagapiou I. A., Phys. Rev. E, 2002, 65(2), 021605
[6]	Neimark A. V., Ravikovitch P. I., Vishnyakov A., Phys. Rev. E,2002, 65(3), 031505
[7]	Gatica S. M., Cole M. W., Phys. Rev. E,2005, 72(4), 041602
[8]	Li Z. D., Cao D. P., Wu J. Z., J. Chem. Phys., 2005, 122(22), 224701
[9]	Fu D., Li X. S., J. Chem. Phys., 2006, 125(8), 084716
[10]	Peng B., Yu Y. X., J. Phys. Chem. B,2008, 112(48), 15407—15416
[11]	Wu H. S., Li X. S., Acta Chim. Sinica,2010, 68(17), 1681—1686
	(吴慧森, 李小森. 化学学报,2010, 68(17), 1681—1686)
[12]	Ravikovitch P. I., Neimark A. V., Langmuir,2006, 22(26), 10864—10868
[13]	Wu J. Z., J. Phys. Chem. B, 2009, 113(19), 6813—6818
[14]	Baksh M. S. A., Yang R. T., AIChE. J., 1991, 37(6), 923—926
[15]	Ravikovitch P. I., Neimark A. V., Langmuir,2002, 18(5), 1550—1560
[16]	Henderson D., Sokolowski S., Phys. Rev. E,1995, 52(1), 758—762
[17]	Takaiwa D., Hatano I., Koga K., Tanaka H., PNAS,2008, 105(1), 39—43
[18]	Neimark A. V., Lin Y. Z., Ravikovitch P. I., Thommes M., Carbon,2009, 47(7), 1617—1628
[19]	Milischuk A. A., Ladanyi B. M., J. Chem. Phys., 2011, 135(17), 174709
[20]	Brovchenko I., Oleinikova A., J. Phys. Chem. B,2011, 115(33), 9990—10000
[21]	Liu Y., Zhao S. L., Wu J. Z., J. Chem. Theory Comput., 2013, 9(4), 1896—1908
[22]	Li L. B., Vorobyov I., Allen T. W., J. Phys. Chem. B,2013, 117(40), 11906—11920
[23]	Wang W., Yuan Y., Sun F. X., Zhao M., Ren H., Zhu G. S., Chem. Res. Chinese Universities,2014, 30(6), 1018—1021
[24]	Wen M. X., Zhang Y. M., Chem. J. Chinese Universities,2014, 35(5), 1011—1015
	(文孟喜, 郑咏梅. 高等学校化学学报,2014, 35(5), 1011—1015)
[25]	Du Y., Chen H. J., Cheng Z. J., Lai H., Zhang N. Q., Sun K. N., Chem. J. Chinese Universities,2014, 35(1), 105—109
	(都颖, 陈海杰, 成中军, 来华, 张乃庆, 孙克宁. 高等学校化学学报,2014, 35(1), 105—109)
[26]	Li S. S., Liao M. Y., Jin M. H., Chem. Res. Chinese Universities,2014, 30(3), 518—520
[27]	Evans R., Adv. Phys., 1979, 28(2), 143—200
[28]	Ramakrishnan T. V., Yussouff M., Phys. Rev. B,1979, 19(5), 2775—2794
[29]	Rosenfeld Y., Phys. Rev. Lett., 1989, 63(9), 980—983
[30]	Yu Y. X., Wu J. Z., J. Chem. Phys., 2002, 117(22), 10156—10164
[31]	Roth R., Evans R., Lang A., Kahl G., J. Phys.: Condens. Matter,2002, 14(46), 12063—12078
[32]	Yu Y. X., J. Chem. Phys., 2009, 131(2), 024704
[33]	Peng B., Yu Y. X., Langmuir,2008, 24(21), 12431—12439
[34]	Weeks J. D., Chandler D., Anderson H. C., J. Chem. Phys., 1971, 54(12), 5237—5247
[35]	Chapmann W. G., Gubbins K. E., Jackson G., Radosz M., Fluid Phase Equilib., 1989, 52, 31—38
[36]	Yu Y. X., Wu J. Z., J. Chem. Phys., 2003, 119(4), 2288—2295
[37]	Yu Y. X., Wu J. Z., J. Chem. Phys., 2002, 116(16), 7094—7103
[38]	Wang H. J., Hong X. Z., Gu F., Ba X. W., Sci. China B,2006, 49(6), 499—506
[39]	Gu F., Wang H. J., Fu D., Sci. China Chem., 2013, 43(1), 55—62
	(顾芳, 王海军, 付东. 中国科学B辑, 2013, 43(1), 55—62)
[40]	Segura C. J., Chapman W. G., Shukla K. P., Mol. Phys., 1997, 90(5), 759—771
[41]	Yu Y. X., Gao G. H., Wang X. L., J. Phys. Chem. B,2006, 110(29), 14418—14425