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Integrated ionic liquid and rate-based absorption process design for gas separation: Global optimization using hybrid models

期刊: AICHE JOURNAL, 2021; 67 (10)

A new method for integrated ionic liquid (IL) and absorption process design is proposed where a rigorous rate-based process model is used to incorpora......

Multi-period design and planning model of shale gas field development

期刊: AICHE JOURNAL, 2021; 67 (8)

Long-term design and planning of shale gas field development is challenging due to the complex development operations and a wide range of candidate lo......

Multilevel screening of computation-ready, experimental metal-organic frameworks for natural gas purification

期刊: AICHE JOURNAL, 2021; 67 (7)

In this study, traditional Monte Carlo simulation and density functional theory-based structural optimization methods were combined to screen computat......

Kinetics simulation of propylene epoxidation over different Ti species in TS-1

期刊: AICHE JOURNAL, 2021; 67 (8)

A thorough experimental investigation on the kinetic behavior of liquid-phase propylene epoxidation over TS-1 and tetrapropylammonium hydroxide (TPAOH......

Inhibition of temperature runaway phenomenon in the Sabatier process using bed dilution structure: LBM-DEM simulation

期刊: AICHE JOURNAL, 2021; 67 (10)

The Sabatier process is promising for carbon dioxide utilization and energy storage. However, the serious problem that limits more comprehensive indus......

Kinetics decoupling activity and selectivity of Pt nanocatalyst for enhanced glycerol oxidation performance

期刊: AICHE JOURNAL, 2021; 67 (10)

Herein, we demonstrate a kinetics and a mechanistic strategy to disentangle the origins of the significantly improved activity and selectivity of Pt-c......

Three-dimensional-printed holistic reactors with fractal structure for heterogeneous reaction

期刊: AICHE JOURNAL, 2021; 67 (7)

Holistic catalytic reactors with fractal structures have attracted growing attention in heterogeneous reactions because of their advantages of improve......

Dust cloud explosion characteristics and mechanisms in MgH2-based hydrogen storage materials

期刊: AICHE JOURNAL, 2021; 67 (8)

The mechanisms involved in premixed magnesium and hydrogen hybrid and synthetic MgH2 dust cloud explosions were investigated. The results revealed tha......

Performance and mechanism of the separation of C8 alpha-olefin from F-T synthesis products using novel Ag-DES

期刊: AICHE JOURNAL, 2021; 67 (8)

As an attractive alternative technology for the separation of long chain olefin and paraffin, a novel silver-based deep eutectic solvent (Ag-DES) was ......

Ultramicroporous carbons featuring sub-angstrom ngstrom tunable apertures for the selective separation of light hydrocarbon

期刊: AICHE JOURNAL, 2021; 67 (9)

Separations of both C-3 alkene/alkane and C-4 alkadiene/alkenes are of great commercial significance as propylene and butadiene represent important fe......

Multistage distributionally robust optimization for integrated production and maintenance scheduling

期刊: AICHE JOURNAL, 2021; 67 (9)

In chemical manufacturing processes, equipment degradation can have a significant impact on process performance or cause unit failures that result in ......

Large-eddy simulation of coal combustion in 15 MW pilot-scale boiler-simulation facility

期刊: AICHE JOURNAL, 2021; 67 (8)

High-fidelity modeling provides a useful approach to investigate the multiscale multiphysics mechanism in the pulverized coal combustion. This researc......

Discrete element method models of elastic and elastoplastic fiber assemblies

期刊: AICHE JOURNAL, 2021; 67 (8)

Geometry-dependency and plasticity are considered in the contact force models for the discrete element method simulations of elastic and elastoplastic......

Molecular fingerprint and machine learning to accelerate design of high-performance homochiral metal-organic frameworks

期刊: AICHE JOURNAL, 2021; 67 (10)

Computational screening was employed to calculate the enantioseparation capabilities of 45 functionalized homochiral metal-organic frameworks (FHMOFs)......

Numerical simulation of atomic layer deposition for thin deposit formation in a mesoporous substrate

期刊: AICHE JOURNAL, 2021; 67 (8)

ZnO deposition in porous gamma-Al2O3 via atomic layer deposition (ALD) is the critical first step for the fabrication of zeolitic imidazolate framewor......

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