NLDFTモデルの参考文献

DFTモデルの参考文献

下の参考文献リストは、NLDFTモデル表の文献表記と関連付けられています。

DFTの参考文献リストは、吸着等温線データの取得手法としてDFTを活用している、以下を含む論文で構成されています。

参考文献（NLDFTモデル表に基づく）

[1] Jacek Jagiello and James P. Olivier.A simple two-dimensional NLDFT model of gas adsorption in finite carbon pores. Application to pore structure analysis.物理化学杂志C, 113(45):19382–19385, Oct 2009.

[2] P. Tarazona.硬球的自由能密度函数.理论物理。启一个，31（4）：2672-2679，1985年4月。

[3] P. Tarazona, U. Marini Bettolo Marconi, and R. Evans.Phase equilibria of fluid interfaces and confined fluids – non-local versus local density functionals.Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, 60(3):573–595, 1987.

[4] Christian Lastoskie, Keith E. Gubbins, and Nicholas Quirke.Pore size distribution analysis of microporous carbons: a density functional theory approach.物理化学杂志，97（18）：1993年5月4786-4796。

[5] P. Tarazona.A density functional theory of melting.Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, 52(1):81–96, 1984.

[6] James P. Olivier.Modeling physical adsorption on porous and nonporous solids using density functional theory.Journal of Porous Materials, 2(1):9–17, July 1995.

[7] James P. Olivier. Improving the models used for calculating the size distribution of micropore volume of activated carbons from adsorption data.Carbon，36（10）：1998年10月1469-1472。

[8] M.W.Maddox，J.P. Olivier和K.E.Gubbins。Characterization of mcm-41 using molecular simulation: Heterogeneity effects.Langmuir, 13(6):1737–1745, Mar 1997.

[9] M. Jaroniec，M.Kruk，J.P. Olivier和S. Koch。A new method for the accurate pore size analysis of mcm -41 and other silica based mesoporous materials.In Unger K.K., Kreysa G., and J. P. Baselt, editors,Proceedings of the Fifth International Symposium on the Characterization of Porous Solids, COPS-V, volume 128 ofStudies in Surface Science and Catalysis, page 71. Elsevier, 2000.

[10] James P. Olivier和Mario L. Occelli。Surface area and microporosity of a pillared interlayered clay (pilc) from a hybrid density functional theory (dft) method.物理化学杂志B, 105(22):5358–5358, May 2001.

[11]M. L.Occelli, J. P. Olivier, J. A.Perdigon-Melon, and A. Auroux.Surface area, pore volume distribution, and acidity in mesoporous expanded clay catalysts from hybrid density functional theory (dft) and adsorption microcalorimetry methods.Langmuir, 18(25):9816–9823, Nov 2002.

[12]Mario L. Occelli, James P. Olivier, Alice Petre, and Aline Auroux.Determination of pore size distribution, surface area, and acidity in fluid cracking catalysts (fccs) from nonlocal density functional theoretical models of adsorption and from microcalorimetry methods.物理化学杂志B, 107(17):4128–4136, Apr 2003.

[13]M. L.Occelli, J. P. Olivier, A. Auroux, M. Kalwei, and H. Eckert.Basicity and porosity of a calcined hydrotalcite-type material from nitrogen porosimetry and adsorption microcalorimetry methods.Chemistry of Materials, 15(22):4231–4238, Oct 2003.

モデル番号別

[255]

80. Jagiello和J.P.P.P.P.P.Olivier，2D-NLDFT吸附模型用于碳狭缝形孔，具有表面能量异质性和几何波纹。碳（2013）55,70-80。

[410, 420]

158. Jagiello, J. Kenvin, Consistency of Carbon Nanopore Characteristics Derived from Adsorption of Simple Gases and 2D-NLDFT Models. Advantages of Using Adsorption Isotherms of Oxygen (O2) at 77 K, Journal of Colloid and Interface Science 542 (2019) 151-158.

[600]

1034. Li, Q. Chen, T.C.Wang, N.A.Vermeulen, B.L.Mehdi, A. Dohnalkova, N.D.Browning, D. Shen, R. Anderson, D.A.Gómez-Gualdrón, F.M.Cetin, J. Jagiello, A.M. Asiri, J.F.Stoddart, O.K.Farha, Hierarchically Engineered Mesoporous Metal-Organic Frameworks toward Cell-free Immobilized Enzyme Systems, Chem (2018) 4, 1022-1034.

[610]

597. Jagiello, M. Jaroniec, 2D-NLDFT Adsorption Models for Porous Oxides with Corrugated Cylindrical Pores, Journal of Colloid and Interface Science 532 (2018) 588-597.