缔合流体在纳米缝隙中的相行为研究

GIEC OpenIR > 中国科学院广州能源研究所

	缔合流体在纳米缝隙中的相行为研究
其他题名	Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores
	Wu Huijie(吴慧杰); Li Xiaosen(李小森)
	2010-09-14
发表期刊	ACTA CHIMICA SINICA
ISSN	0567-7351
卷号	68 期号:17 页码:6,1681-1686
产权排序	[Wu Huijie(吴慧杰); Li Xiaosen(李小森)] Chinese Acad Sci, Guangzhou Inst Energy Convers, CAS, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China
通讯作者	Wu, HJ (reprint author), Chinese Acad Sci, Guangzhou Inst Energy Convers, CAS, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China.
其他摘要	The phase behaviors of two-site associating Lennard-Jones(LJ) fluid confined in slit pores were investigated by using the modified fundamental measure theory (MFMT) and density functional theory (DFT). The phase equilibria were determined according to the requirement that temperature, chemical potential and grand potential in both phases should be equal. The influences of association energy and pore width on the thermodynamic properties including equilibrium density distributions of molecules and monomers, adsorption and desorption isotherms, and vapor-liquid coexistence were demonstrated. 结合改进的基础度量理论（modified fundamental measure theory,MFMT）和密度泛函理论（Density functional the-ory,DFT）,研究了二缔合Lennard-Jones（LJ）流体在纳米缝隙中的相行为.根据平衡时两相温度、化学势及巨势相等的原则,计算了二缔合LJ流体在纳米缝隙中的相平衡.阐明了缔合能量和缝隙宽度对平衡时分子和单体密度分布、吸附-脱吸等温线及汽液共存等热力学性质的影响.
关键词	Two-site Associating Lennard-jones Fluid Slit Pore Phase Behavior Density Functional Theory Density-functional Theory Fundamental-measure-theory Interfacial Properties Adsorption Prediction Surface-tension Gas-adsorption Active Carbons Solid-surfaces Equilibria Transitions 二缔合lennard-jones流体纳米缝隙相行为密度泛函理论
学科领域	Chemistry
收录类别	SCI ; CSCD
语种	中文
项目资助者	国家自然科学基金（No.20773133）; 中科院知识创新工程重要方向项目（No.KGCX2-YW-3X6）;中科院重大科研装备项目（No.YZ200717）; 广东省科技计划项目（No.2009B050600006）
引用统计
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/8524
专题	中国科学院广州能源研究所天然气水合物开采技术与综合利用实验室
推荐引用方式 GB/T 7714	Wu Huijie(吴慧杰),Li Xiaosen(李小森). 缔合流体在纳米缝隙中的相行为研究[J]. ACTA CHIMICA SINICA,2010,68(17):6,1681-1686.
APA	Wu Huijie,&Li Xiaosen.(2010).缔合流体在纳米缝隙中的相行为研究.ACTA CHIMICA SINICA,68(17),6,1681-1686.
MLA	Wu Huijie,et al."缔合流体在纳米缝隙中的相行为研究".ACTA CHIMICA SINICA 68.17(2010):6,1681-1686.