Search Results - "Xiong, Ruichang"

Isosteric Heats of Gas and Liquid Adsorption by Builes, Santiago, Sandler, Stanley I, Xiong, Ruichang

“…The heat of adsorption is an indicator of the strength of the interaction between an adsorbate and a solid adsorbent. This parameter can be determined from the…”
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Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites by Pham, Trong D., Xiong, Ruichang, Sandler, Stanley I., Lobo, Raul F.

“…•Siliceous zeolites were synthesized in HF media with low defect concentration.•Predictions of CO2 and N2 adsorption are in excellent agreement with…”
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Molecular Screening of Alcohol and Polyol Adsorption onto MFI-Type Zeolites by Xiong, Ruichang, Sandler, Stanley I, Vlachos, Dionisios G

“…Configurational-bias grand canonical Monte Carlo (CB-GCMC) simulations and expanded ensemble (EE)-CB-GCMC simulations were performed to obtain adsorption…”
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Effect of Charge Distribution on RDX Adsorption in IRMOF-10 by Xiong, Ruichang, Keffer, David J, Fuentes-Cabrera, Miguel, Nicholson, Donald M, Michalkova, Andrea, Petrova, Tetyana, Leszczynski, Jerzy, Odbadrakh, Khorgolkhuu, Doss, Bryant L, Lewis, James P

“…Quantum mechanical (QM) calculations, classical grand canonical Monte Carlo (GCMC) simulations, and classical molecular dynamics (MD) simulations are performed…”
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Structure-Property Relationships in Hydroxide-Exchange Membranes with Cation Strings and High Ion-Exchange Capacity by Wang, Junhua, Gu, Shuang, Xiong, Ruichang, Zhang, Bingzi, Xu, Bingjun, Yan, Yushan

“…A series of poly(2,4‐dimethyl‐1,4‐phenylene oxide) hydroxide‐exchange membranes (HEMs) with cation strings containing a well‐defined number of cations (CS‐n)…”
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Utilization of Cold Energy of LNG for Carbon Dioxide Capture and Liquefaction in Amine-Based SMR by Jeong, Hyeon-won, Nguyen, Vinh Khanh, Wang, Shu, Gutfraind, Ricardo, Xiong, Ruichang, Wareck, Jerry, Neilsen, Samantha, Shim, W. Jaewoo

“…Hydrogen is widely produced by a steam methane reforming (SMR) process, but CO2 that is produced as a byproduct needs to be captured. For this purpose, amine…”
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An Improvement to COSMO-SAC for Predicting Thermodynamic Properties by Xiong, Ruichang, Sandler, Stanley I, Burnett, Russell I

“…A modified COSMO-SAC model is presented to calculate thermodynamic properties of pure fluids and mixtures using statistical thermodynamics and the surface…”
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Applications of a general random-walk theory for confined diffusion by Calvo-Muñoz, Elisa M, Selvan, Myvizhi Esai, Xiong, Ruichang, Ojha, Madhusudan, Keffer, David J, Nicholson, Donald M, Egami, Takeshi

“…A general random walk theory for diffusion in the presence of nanoscale confinement is developed and applied. The random-walk theory contains two parameters…”
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Quantum Chemically Estimated Abraham Solute Parameters Using Multiple Solvent–Water Partition Coefficients and Molecular Polarizability by Liang, Yuzhen, Xiong, Ruichang, Sandler, Stanley I., Di Toro, Dominic M.

“…Polyparameter Linear Free Energy Relationships (pp-LFERs), also called Linear Solvation Energy Relationships (LSERs), are used to predict many environmentally…”
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Evaluation of COSMO-SAC method for the prediction of the alcohol-water partition coefficients of the compounds encountered in aqueous phase fructose dehydration by Xiong, Ruichang, Miller, Jacob, León, Marta, Nikolakis, Vladimiros, Sandler, Stanley I.

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Isosteric Heats of Gas and Liquid Adsorption by Builes, Santiago, Sandler, Stanley I., Xiong, Ruichang

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Alcohol Adsorption onto Silicalite from Aqueous Solution by Xiong, Ruichang, Sandler, Stanley I, Vlachos, Dionisios G

“…A methodology based on the combination of grand canonical Monte Carlo (GCMC) and expanded ensemble (EE) simulations has been used to study the adsorption of…”
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An Improvement to COSMO-SAC for Predicting Thermodynamic Properties by Xiong, Ruichang, Sandler, Stanley I., Burnett, Russell I.

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Evaluation of COSMO-SAC method for the prediction of the alcohol-water partition coefficients of the compounds encountered in aqueous phase fructose dehydration by Xiong, Ruichang, Miller, Jacob, León, Marta, Nikolakis, Vladimiros, Sandler, Stanley I.

“…Liquid-liquid extraction of fructose, 5-hydroxymethylfurfural (HMF), and HMF rehydration products, levulinic acid (LA) and formic acid (FA), from aqueous…”
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Molecular Screening of Alcohol and Polyol Adsorption onto MFI-Type Zeolites by Xiong, Ruichang, Sandler, Stanley I., Vlachos, Dionisios G.

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Adsorption of HMF from Water/DMSO Solutions onto Hydrophobic Zeolites: Experiment and Simulation by Xiong, Ruichang, León, Marta, Nikolakis, Vladimiros, Sandler, Stanley I., Vlachos, Dionisios G.

“…The adsorption of 5‐hydroxymethylfurfural (HMF), DMSO, and water from binary and ternary mixtures in hydrophobic silicalite‐1 and dealuminated Y (DAY) zeolites…”
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Alcohol Adsorption onto Silicalite from Aqueous Solution by Xiong, Ruichang, Sandler, Stanley I., Vlachos, Dionisios G.

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Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites by Pham, Trong D., Xiong, Ruichang, Sandler, Stanley I., Lobo, Raul F.

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Adsorption of HMF from Water/DMSO Solutions onto Hydrophobic Zeolites: Experiment and Simulation by Xiong, Ruichang, León, Marta, Nikolakis, Vladimiros, Sandler, Stanley I., Vlachos, Dionisios G.

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Evaluation of functionalized isoreticular metal organic frameworks (IRMOFs) as smart nanoporous preconcentrators of RDX by Xiong, Ruichang, Odbadrakh, Khorgolkhuu, Michalkova, Andrea, Luna, Johnathan P., Petrova, Tetyana, Keffer, David J., Nicholson, Donald M., Fuentes-Cabrera, Miguel A., Lewis, James P., Leszczynski, Jerzy

“…Classical molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations were used to generate self-diffusivities, adsorption isotherms and density…”
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