| DENSITY FUNCTIONAL FOR STRUCTURES OF COLLOIDS CONFINED IN A SLIT-LIKE PORE |
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| 引用本文： | Fengqi You Sheng Fu Yangxin Yu Guanghua Gao. DENSITY FUNCTIONAL FOR STRUCTURES OF COLLOIDS CONFINED IN A SLIT-LIKE PORE[J]. 中国颗粒学报, 2005, 3(5): 265-270 |
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| 作者姓名： | Fengqi You Sheng Fu Yangxin Yu Guanghua Gao |
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| 作者单位： | State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University, Beijing 100084, P. R. China |
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| 摘 要： | A density functional theory is applied to calculating the local density profiles of colloids confined in a slit-like pore as well as the radial distribution functions of bulk colloids. The interaction between the colloidal particles is described using a hard-core Yukawa model. The excess Helmholtz energy functional is a combination of the modified fundamental measure theory of Yu and Wu （2002） for the hard-core contribution and a corrected mean-field theory for the attractive contribution. Comparison with the results from the Monte Carlo simulations shows that the corrected theory improves the density profiles of colloids in the vicinity of contact over the original mean-field theory. Both the present corrected theory and simulations suggest that there are depletion and desorption for the colloid with strong attraction between particles at low temperature.
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| 关 键 词： | 胶体 斯裂孔 密度函数 非均匀流 Yukawa模型 |
| 收稿时间： | 2005-06-27 |
| 修稿时间： | 2005-06-272005-08-05 |
DENSITY FUNCTIONAL FOR STRUCTURES OF COLLOIDS CONFINED IN A SLIT-LIKE PORE |
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| Fengqi;You;Sheng;Fu;Yangxin;Yu;Guanghua;Gao. DENSITY FUNCTIONAL FOR STRUCTURES OF COLLOIDS CONFINED IN A SLIT-LIKE PORE[J]. China Particuology, 2005, 3(5): 265-270 |
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| Authors: | Fengqi You Sheng Fu Yangxin Yu Guanghua Gao |
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| Abstract: | A density functional theory is applied to calculating the local density profiles of colloids confined in a slit-like pore as well as the radial distribution functions of bulk colloids. The interaction between the colloidal particles is described using a hard-core Yukawa model. The excess Helmholtz energy functional is a combination of the modified fundamental measure theory of Yu and Wu (2002) for the hard-core contribution and a corrected mean-field theory for the attractive contribution. Comparison with the results from the Monte Carlo simulations shows that the corrected theory improves the density profiles of colloids in the vicinity of contact over the original mean-field theory. Both the present corrected theory and simulations suggest that there are depletion and desorption for the colloid with strong attraction between particles at low temperature. |
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| Keywords: | colloid slit-like pore inhomogeneous fluid fundamental theory Yukawa model |
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