平行狭缝间缔合流体的平衡热力学性质
The Equilibrium Thermodynamic Properties for Associating Fluid in Slit Pores
DOI: 10.12677/MP.2015.53006, PDF, HTML, XML, 下载: 2,324  浏览: 7,443  科研立项经费支持
作者: 宋建民, 那木拉, 刘书华：河北农业大学，河北 保定；代秀红：河北大学，河北 保定
关键词: 缔合流体；剩余吸附；密度泛函理论；纳米狭缝；Associating Fluid； Excess Adsorption； Density Functional Theory； Slit Pore
摘要: 基于密度泛函理论(DFT)和改进的基本度量理论(MFMT)，研究了受限于平行狭缝间AB2型缔合流体的聚集态行为。根据平衡时的密度分布，对纳米狭缝中AB2型缔合流体的剩余吸附进行了计算。阐明了缔合程度和体积分数以及狭缝宽度对体系平衡时的剩余吸附和密度分布的影响。
Abstract: The aggregation behaviors of AB2 associating fluid confined in slit pores were investigated by using the density functional theory (DFT) and modified fundamental measure theory (MFMT). According to the equilibrium density profiles, the excess adsorption of AB2 associating fluids was determined in slit pores. The influences of the volume fraction, the pore width, and the associating conversion on density profiles and excess adsorption were also demonstrated.
文章引用：宋建民, 代秀红, 那木拉, 刘书华. 平行狭缝间缔合流体的平衡热力学性质[J]. 现代物理, 2015, 5(3): 41-47. http://dx.doi.org/10.12677/MP.2015.53006

参考文献

[1] Schmidt, M. (2000) Fluid structure from density-functional theory. Physical Review E, 62, 4976-4981.
[2] Wu, J.Z. and Li, Z.D. (2007) Density-functional theory for complex fluids. Annual Review of Physical Chemistry, 58, 85-112.
[3] Kierlik, E. and Rosinberg, M.L. (1991) Density-functional theory for inhomogeneous fluids: Adsorption of binary mixtures. Physical Review A, 44, 5025-5037.
[4] Fu D, Li X S. (2006) Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores. The Journal of Chemical Physics, 125, Article ID: 084716.
[5] Yu, Y.X. (2009) A novel weighted density functional theory for adsorption, fluid-solid interfacial tension, and disjoining properties of simple liquid films on planar solid surfaces. The Journal of Chemical Physics, 131, Article ID: 024704.
[6] Woodward, C.E. (1991) A density functional theory for polymers: Application to hard chain-hard sphere mixtures in slitlike pores. The Journal of Chemical Physics, 94, 3183-3188.
[7] Zhang, S.L., Cai, J., Liu, H.L., et al. (2004) Density functional theory of square-well chain mixtures near solid surface. Molecular Simulation, 30, 143-147.
[8] Yu, Y.X., Gao, G.H. and Wang, X.L. (2006) Density functional theory study on the structure and capillary phase transition of a polymer melt in a slitlike pore: Effect of attraction. The Journal of Physical Chemistry B, 110, 14418-14425.
[9] Yan, B. and Yang, X.N. (2005) Adsorption prediction for three binary supercritical gas mixtures on activated carbon based on a NDFT/PSD approach. Chemical Engineering Science, 60, 3267-3277.
[10] You, F.Q., Yu, Y.X. and Gao, G.H. (2005) Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: Grand canonical Monte Carlo simulation and density-functional study. The Journal of Chemical Physics, 123, Article ID: 114705.
[11] Zhou, S.Q. (2006) Formalism for calculation of polymer-solvent-mediated potential. Physical Review E, 74, Article ID: 011402.
[12] Bymaster, A. and Jain, S. (2008) Chapman W G. Microstructure and depletion forces in polymer-colloid mixtures from an interfacial statistical associating fluid theory. The Journal of Chemical Physics, 128, Article ID: 164910.
[13] Sumi T, Imazaki N, Sekino H. (2009) Critical Casimir effect in a polymer chain in supercritical solvents. Physical Review E, 79, Article ID: 030801.
[14] Roth, R., Evans, R., Lang, A. and Kahl, G. (2002) Fundamental measure theory for hard-sphere mixtures revisited: The white bear version. Journal of Physics: Condensed Matter, 14, 12063-12078.
[15] Yu, Y.X. and Wu, J.Z. (2002) Structures of hard-sphere fluids from a modified fundamental-measure theory. The Journal of Chemical Physics, 117, Article ID: 10156.
[16] Nygard, K., Kjellander, R., Sarman, S., Chodankar, S., Perret, E., Buitenhuis, J. and vander Veen, J.F. (2012) Anisotropic pair correlations and structure factors of confined hard-sphere fluids: An experimental and theoretical study. Physical Review Letters, 108, Article ID: 037802.
[17] De Luca, S., Todd, B.D., Hansen, J.S. and Daivis, P.J. (2014) A new and effective method for thermostatting confined fluids. The Journal of Chemical Physics, 140, Article ID: 054502.
[18] Shu, C.F. and Leu, C.M. (1999) Hyperbranched poly(ether ketone) with carboxylic acid terminal groups: Synthesis, characterization, and derivatization. Macromolecules, 32, 100-105.
[19] 魏焕郁, 施文芳 (2001) 超支化聚合物的结构特征、合成及其应用. 高等学校化学学报, 2, 338-344.
[20] 宋建民, 刘东州, 等 (2010) 平行板间超支化聚合物流体的密度分布和溶剂化力. 物理化学学报, 1, 169-174.
[21] Yethiraj, A. and Woodward, C.E. (1995) Monte Carlo density functional theory of nonuniform polymer melts. The Journal of Chemical Physics, 102, Article ID: 5499.