Performance-based screening of porous materials for carbon capture
Computational screening methods have changed the way new materials and processes are
discovered and designed. For adsorption-based gas separations and carbon capture, recent …
discovered and designed. For adsorption-based gas separations and carbon capture, recent …
Multi-objective optimization applications in chemical process engineering: Tutorial and review
This tutorial and review of multi-objective optimization (MOO) gives a detailed explanation of
the 5 steps to create, solve, and then select the optimum result. Unlike single-objective …
the 5 steps to create, solve, and then select the optimum result. Unlike single-objective …
Multi-objective optimization of ANN-based PSA model for hydrogen purification from steam-methane reforming gas
Abstract A 4-bed-8-step pressure swing adsorption (PSA) process has been developed to
produce high-purity hydrogen from the steam methane reforming (SMR) gas mixture. The …
produce high-purity hydrogen from the steam methane reforming (SMR) gas mixture. The …
Machine learning-based multiobjective optimization of pressure swing adsorption
The transient, cyclic nature and flexibility in process design make the optimization of
pressure swing adsorption (PSA) computationally intensive. Two hybrid approaches …
pressure swing adsorption (PSA) computationally intensive. Two hybrid approaches …
Photoelectrochemical properties, machine learning, and symbolic regression for molecularly engineered halide perovskite materials in water
The machine learning techniques are capable of predicting virtual material design space
and optimizing material fabrication parameters. In this article, we construct machine learning …
and optimizing material fabrication parameters. In this article, we construct machine learning …
From crystal to adsorption column: challenges in multiscale computational screening of materials for adsorption separation processes
Multiscale material screening strategies combine molecular simulations and process
modeling to identify the best performing adsorbents for a particular application, such as …
modeling to identify the best performing adsorbents for a particular application, such as …
Generalized, adsorbent-agnostic, artificial neural network framework for rapid simulation, optimization, and adsorbent screening of adsorption processes
Adsorption-based processes, such as pressure swing adsorption, because of their cyclic
nature and the presence of multiple design variables, are challenging to simulate and …
nature and the presence of multiple design variables, are challenging to simulate and …
Experimentally validated machine learning frameworks for accelerated prediction of cyclic steady state and optimization of pressure swing adsorption processes
Abstract Machine learning-based surrogate models are presented to accelerate the
optimization of pressure swing adsorption processes. Various supervised machine learning …
optimization of pressure swing adsorption processes. Various supervised machine learning …
A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
The question we pose in this study is to what extent the ranking of metal organic frameworks
(MOFs) for adsorption-based carbon capture, and the selection of top performers identified …
(MOFs) for adsorption-based carbon capture, and the selection of top performers identified …
A review of numerical research on the pressure swing adsorption process
The pressure swing adsorption (PSA) process has been considered a promising method for
gas separation and purification. However, experimental methods are time-consuming, and it …
gas separation and purification. However, experimental methods are time-consuming, and it …