MO-MCS, a Derivative-Free Algorithm for the Multiobjective Optimization of Adsorption Processes

Capra, Federico; Gazzani, Matteo; Joss, Lisa; Mazzotti, Marco; Martelli, Emanuele

doi:10.1021/acs.iecr.8b00207

Cited by 27 publications

(19 citation statements)

References 57 publications

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“…Irrespective of the class of problem, optimizing adsorption processes require employing derivative-free optimization methods due to the nonlinear and nonconvex nature of the objectives and the constraints, if any, imposed on the process. 39,47 In this work, we employ two different derivative-free optimization methods with single and multiple objectives to optimize the process configurations. We use a single objective optimization method to optimize the superstructure, presented in Section 3.3 (see Section 4.2.2).…”

Section: Process Optimizationmentioning

confidence: 99%

Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes

Elahi

Hejazi

Rajagopalan

2022

Preprint

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The performance of an adsorption-based separation process is dictated by the choices of the solid sorbent and the process configuration. Often screening of materials and process configuration is performed using digital twins that mimic a real adsorption process. In typical studies, either several materials are screened for a specific process configuration to find the best candidate or the performance of several process configurations is evaluated for a specific material. However, it has long been suggested that to truly maximize the potential of a given material, it should be "married" to processes. In this work, we address the "marriage" of materials and processes through three dedicated goals. First, to develop a modeling framework for an all-encompassing pressure swing adsorption cycle composed of several process configurations. Second, to develop an optimization framework, drawing inspiration from superstructures, to select the optimal process configuration from the all-encompassing cycle to reach a given process target. Third, to highlight the importance and relevance of such an approach that enables each material to truly maximize its potential, by varying both the process configuration and the corresponding operating conditions. To address these goals, we have developed a computational framework composed of a process model and a process optimizer. Subsequently, using this computational framework, we have evaluated the performance of several real and hypothetical materials. Our computational studies led to two key outcomes, namely, (1) to employ an integrated material-process optimization approach to maximize the true potential of any material when screening for a given application and when evaluating the performance under different feed conditions; and (2) not to generalize the observations regarding the best process configuration from one material to every other material.

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Section: Process Optimizationmentioning

confidence: 99%

Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes

Elahi

Hejazi

Rajagopalan

2022

Preprint

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“…A two-step approach was used for process optimization (for more details, the reader is referred to [14]). First, the feasibility of the separation was assessed by mathematically optimizing (using the multiobjective optimization routine described elsewhere [34]) the purity and recovery of H 2 while constraining purity and recovery of CO 2 to 96% and 90%, respectively (the requirements typically set for CO 2 capture and storage [35,36,37]). After this feasibility analysis, the material or the process configuration may be revisited for improvements.…”

Section: Process Modelling and Multi-objective Optimizationmentioning

confidence: 99%

Synergistic material and process development: Application of a metal-organic framework, Cu-TDPAT, in single-cycle hydrogen purification and CO2 capture from synthesis gas

Asgari

Streb

Spek

et al. 2021

Chemical Engineering Journal

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We employ a synergistic material and process development strategy to improve the performance of a single-cycle vacuum pressure swing adsorption (VPSA) process for the hydrogen purification and the CO 2 separation from reforming-based hydrogen synthesis. Based on process-informed adsorbent selection criteria, including high CO 2 cyclic capacity and selective uptake of impurities like CO, N 2 , and CH 4 over H 2 , a metal organic framework (MOF), Cu-TDPAT, is selected. First, adsorption isotherms of CO 2 , CO, CH 4 , N 2 and H 2 are measured. Subsequently, a column model is used for optimization-based analysis of the VPSA cycle with Cu-TDPAT as the adsorbent to assess both the separation performance, and the process performance in terms of energy consumption and productivity. The adsorption characteristics of Cu-TDPAT require an adaptation of the original VPSA process to increase the CO 2 separation performance of the process. After this adaptation, Cu-TDPAT clearly outperforms the benchmark material, zeolite 13X, in several metrics including higher H 2 purities and recoveries and fewer columns needed for a continuous separation process. Most importantly, Cu-TDPAT offers a two-fold improvement in CO 2 productivities when compared to zeolite 13X, thus substantially decreasing the bed size required to achieve the same throughput. However, zeolite 13X remains the better adsorbent for reaching high CO 2 purities and recoveries due to its higher selectivity for CO 2 over all other components in the gas stream, which leads to an overall lower energy consumption. The obtained results show that the final performance strongly depends on an interplay of various factors related to both material and process. Hence, an integrated process and material design approach should be the new paradigm for developing novel gas separation processes.

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“…The analysis of the technological process of air separation and oxygen concentration by the PSA method [13,14,[21][22][23][24][25][26][27][28][34][35][36][37][38][39][40][41][42][43][44] allowed to determine:…”

Section: Mathematical Description Of Pressure Swing Adsorption Procesmentioning

confidence: 99%

“…The work [34] has applied a simultaneous tailored methods approach for the solution of the optimization problem, which is more economical in the sense of reducing the time spent on obtaining a solution. However, in the majority of other works [19,21,[35][36][37] optimization problems were solved with the use of the so-called black-box approach, which is widely used both for solving practical and scientific problems [34,38].…”

mentioning

confidence: 99%

Optimization and analysis of pressure swing adsorption process for oxygen production from air under uncertainty

Акулинин

Golubyatnikov

Dvoretsky

et al. 2020

CI&CEQ

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Article Highlights • PSA oxygen production unit is optimized under uncertainty • Optimal modes of the PSA oxygen production unit are studied • A constraint on gas flow velocity in the frontal layer of adsorbent of the PSA unit is introduced • Limiting gas flow velocity provides for resource saving of granulated adsorbent • The fulfilment of gas flow velocity constraint is ensured by controlling the PSA unit's valves Abstract Pressure swing adsorption (PSA) units are widely used for atmospheric air separation and oxygen concentration. However, the efficiency of such installations is reduced due to accidental changes in the characteristics of the atmospheric air to be separated. The article formulates and solves the problem of optimizing the regimes of operation of PSA units with zeolite adsorbent 13X, according to the criterion of oxygen recovery rate in the conditions of interval uncertainty of composition, temperature and pressure of atmospheric air. The optimization problem also takes into account the fulfillment of the requirements on purity of oxygen, productivity of the unit and resource saving of granulated adsorbent from granule abrasion. It is proposed to provide adsorbent saving by limiting the speed of incoming flow in the frontal layer of the adsorbent by means of "soft" stepwise change of the degree of opening of control inlet and outlet valves of the unit. The problem (including the search for time change programs for the degree of opening of control valves) was solved with the use of the developed mathematical model of cyclic heat-and mass exchange processes of adsorption-desorption in a PSA unit and a heuristic iterative algorithm. The comparative analysis of the results of the optimization problem solution, with and without taking into account the constraint on the gas flow velocity in the frontal layer of the adsorbent, is carried out. The influence of the specified requirements for the performance of the PSA unit and the purity of oxygen on the degree of its recovery has been studied.

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MO-MCS, a Derivative-Free Algorithm for the Multiobjective Optimization of Adsorption Processes

Cited by 27 publications

References 57 publications

Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes

Marrying Materials and Processes: A Superstructure Inspired Optimization Approach For Pressure Swing Adsorption Based Carbon Dioxide Capture Processes

Synergistic material and process development: Application of a metal-organic framework, Cu-TDPAT, in single-cycle hydrogen purification and CO2 capture from synthesis gas

Optimization and analysis of pressure swing adsorption process for oxygen production from air under uncertainty

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