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Shun Xi
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Adsorption and phase behavior of pure/mixed alkanes in nanoslit graphite pores: an iSAFT application
J Liu, L Wang, S Xi, D Asthagiri, WG Chapman
Langmuir 33 (42), 11189-11202, 2017
592017
Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory
J Liu, S Xi, W Chapman
Langmuir 35 (24), 8144-8158, 2019
532019
Modeling micelle formation and interfacial properties with iSAFT classical density functional theory
L Wang, A Haghmoradi, J Liu, S Xi, GJ Hirasaki, CA Miller, WG Chapman
The Journal of chemical physics 146 (12), 2017
312017
Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory
S Xi, L Wang, J Liu, WG Chapman
Langmuir 35 (14), 5081–5092, 2019
272019
Modified density gradient theory for surfactant molecules applied to oil/water interfaces
X Mu, S Xi, FO Alpak, WG Chapman
Industrial & Engineering Chemistry Research 57 (22), 7643-7654, 2018
152018
An efficient algorithm for molecular density functional theory in cylindrical geometry: Application to interfacial statistical associating fluid theory (iSAFT)
S Xi, J Liu, A Valiya Parambathu, Y Zhang, WG Chapman
Industrial & Engineering Chemistry Research 59 (14), 6716-6728, 2020
142020
Density functional study of one-and two-component bottlebrush molecules in solvents of varying quality
Y Zhang, S Xi, AV Parambathu, WG Chapman
Molecular Physics 118 (9-10), e1767812, 2020
92020
Self-assembly and phase behavior of mixed patchy colloids with any bonding site geometry: Theory and simulation
Y Zhu, A Bansal, S Xi, J Lu, WG Chapman
Soft Matter 16 (15), 3806-3820, 2020
72020
Block copolymer self-assembly: Melt and solution by molecular density functional theory
S Xi, Y Zhu, J Lu, WG Chapman
The Journal of Chemical Physics 156 (5), 2022
42022
Dualistic Role of Alcohol in Micelle Formation and Structure from iSAFT Based Density Functional Theory and COSMOplex
J Lu, A González de Castilla, S Müller, S Xi, WG Chapman
Industrial & engineering chemistry research 62 (4), 1968-1983, 2023
12023
Multiscale and Multidimensional Thermodynamic Modeling of Block Copolymer Self-Assembly in Solution
S Xi
Rice University, 2020
2020
Self-Assembly and Phase Behavior of Hyperbranched Copolymers
W Chapman, Y Zhang, S Xi
2019 AIChE Annual Meeting, 2019
2019
Modeling Side Chain Conformations of Bottlebrush Polymers from iSAFT Density Functional Theory
Y Zhang, S Xi, W Chapman
2018 AIChE Annual Meeting, 2018
2018
Molecular Design of Polymer and Colloid By a Novel Solution Method Using Interfacial Statistical Associating Fluid Theory (iSAFT)
S Xi, W Chapman
2018 AIChE Annual Meeting, 2018
2018
Molecular Modeling of Microstructure and Solubilization of Single and Multiple Micelles
S Xi, W Chapman
2018 AIChE Annual Meeting, 2018
2018
Molecular Modeling of Microstructure, Solubilization and Micro-Emulsion of Block Copolymer Micelles By iSAFT
S Xi, L Wang, W Chapman
2017 AIChE Annual Meeting, 2017
2017
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Articles 1–16