研究者詳細 - 川尻　喜章

論文 - 川尻　喜章

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A concurrent approach for determining binary isotherm and optimizing moving bed adsorber for solid amine adsorbent in the coexistence of CO2 and H2O 査読有り国際誌

Okumura T., Yamaguchi T., Kawajiri Y.

Separation and Purification Technology 359 巻 2025年6月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Separation and Purification Technology

A concurrent approach, which allows for determining multi-component equilibrium isotherms and designing a multi-component adsorption process within a realistic amount of time and effort, is demonstrated for the first time in a moving bed process using an amine-impregnated solid adsorbent in the presence of CO2 and H2O. The proposed approach extracts measurement points for the binary isotherms from the temperature and partial pressure regions that exist in the optimized process from all potential combinations of CO2 partial pressure, H2O partial pressure, and temperature. At the extracted points, the equilibrium adsorption amounts were measured experimentally to obtain multi-component adsorption amount data, with which the binary isotherm parameters were determined by the Tikhonov regularization. The accuracy of the equilibrium isotherm was further improved iteratively by repeating the steps described above. The proposed approach enables us to determine the binary interactions parameters in the isotherm model reducing the multi-component measurement points only to 12, while obtaining the optimized process operation at the same time.

DOI： 10.1016/j.seppur.2024.130567

Scopus

Process Robustness Evaluation for Various Operating Configurations of Multi-column Chromatography Processes with Nonlinear Isotherm 査読有り国際誌

Kensuke Suzuki, Tomoyuki Yajima, Yoshiaki Kawajiri

Chemical Engineering Science (in press) 巻 2025年2月

Estimation and Uncertainty Quantification of Solvent Strength Parameters in Gradient Elution of Chromatography Using Sequential Monte Carlo Method 査読有り国際誌

Yuan Ziting, Kensuke Suzuki, Yota Yamamoto, Tomoyuki Yajima, Yoshiaki Kawajiri

Processes 13 巻 ( 1 ) 頁： 114 2025年1月

Modeling and uncertainty quantification of CO<inf>2</inf> absorption process using phase separation solvent 査読有り国際誌

Yuyama S., Machida H., Yajima T., Kawajiri Y.

Chemical Engineering Science 298 巻頁： 120348 2024年10月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Chemical Engineering Science

Absorption using an amine solvent is one of the primary means for capturing CO2 from many combustion sources such as fossil fuel power plants. CO2 capture systems by absorption need a large amount of thermal energy to strip CO2 from the amine solvent. In recent years, absorption using a phase separation solvent, which forms two phases when CO2 is absorbed, has been demonstrated as a promising technique to reduce the energy consumption. In this study, we examine several process models for the CO2 absorption process using a phase separation solvent, and quantify the uncertainty of the model parameters. We estimated model parameters, including equilibrium and mass transfer parameters, from two sources of experimental data: solubility tests, as well as lab-scale absorber tests. Model parameters were estimated by Bayesian inference using the Markov chain Monte Carlo method. The proposed approach successfully quantified the uncertainties of the model parameters.

DOI： 10.1016/j.ces.2024.120348

Scopus

Surrogate model optimization of vacuum pressure swing adsorption using a flexible metal organic framework with hysteretic sigmoidal isotherms 査読有り国際共著国際誌

Yuya Takakura, Suryateja Ravutla, Jinsu Kim, Keisuke Ikeda, Hiroshi Kajiro, Tomoyuki Yajima, Junpei Fujiki, Fani Boukouvala, Matthew Realff, Yoshiaki Kawajiri

International Journal of Greenhouse Gas Control 138 巻頁： 104260 2024年10月

A parameter estimation method for chromatographic separation process based on physics-informed neural network 査読有り国際誌

Zou T., Yajima T., Kawajiri Y.

Journal of Chromatography A 1730 巻頁： 465077 2024年8月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Journal of Chromatography A

Chromatographic separation processes are most often modeled in the form of partial differential equations (PDEs) to describe the complex adsorption equilibria and kinetics. However, identifying parameters in such a model requires substantial computational effort. In this work, a novel parameter estimation approach using a Physics-informed Neural Network (PINN) model is developed and tested for a binary component system. Numerical accuracy of our PINN model is confirmed by validating its simulations against those of the finite element method (FEM). Furthermore, model parameters in the kinetic model are estimated by the PINN model with sufficient accuracy from the observed data at the column outlet, where parameter fitting error can be reduced by up to 35.0 % from the conventional method. In a comparison with the conventional numerical method, our approach can reduce the computational time by up to 95 %. The robustness of the PINN model has also been demonstrated by estimating model parameters from noisy artificial experimental data.

DOI： 10.1016/j.chroma.2024.465077

Scopus

PubMed

A comprehensive analysis of ammonia synthesis over a commercial iron-based catalyst using differential and integral reactor models 査読有り国際誌

El-Shafie M., Harada H., Yajima T., Tsuda S., Inazu K., Kawajiri Y.

International Journal of Hydrogen Energy 58 巻頁： 1009 - 1019 2024年3月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：International Journal of Hydrogen Energy

The current study describes a novel approach for analyzing the ammonia production rate over a commercial catalyst, AmoMax®10RS. Differential and integral reactor models were developed based on the power rate law expression. The integral reactor model equations were solved using the gPROMS package to predict the ammonia synthesis rate, gas temperature, and velocity profiles. The significant impacts of the inlet gas temperature, heater temperature, H2/N2 ratio, and catalyst bed loading on the ammonia synthesis were revealed by simulations and compared with experimental data. The simulation results showed that higher inlet gas temperatures enhanced the ammonia synthesis rate. Furthermore, the H2/N2 ratio affected the rate of ammonia synthesis and catalyst activity, and the optimum ammonia synthesis rate was achieved at an H2/N2 ratio of 2. The simulation model not only predicted the rate of ammonia synthesis, but the integral model fitted the experimental measurements well.

DOI： 10.1016/j.ijhydene.2024.01.173

Scopus

Parameter estimation for reactive chromatography model by Bayesian inference and parallel sequential Monte Carlo 査読有り国際誌

Sugiyama H., Yamamoto Y., Suzuki K., Yajima T., Kawajiri Y.

Chemical Engineering Research and Design 203 巻頁： 378 - 390 2024年3月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Chemical Engineering Research and Design

Reactive chromatography overcomes many disadvantages of conventional separation processes by improving yields and reduces costs by combining reaction and separation in a single operation. Model-based optimization is essential to realize industrial applications of this process. Parameters in the model must be estimated accurately, and evaluating the uncertainty of the model parameters is crucial. However, uncertainty quantification of model parameters has not been performed for reactive chromatography processes. In this study, we propose an approach to estimate the parameter uncertainty of reactive chromatography processes using Bayesian inference and parallel sequential Monte Carlo. As an example, the esterification synthesis of acetic acid and methanol catalyzed by a cation exchange resin was considered. Parameter estimation was performed using a reactive chromatography experiment and a non-reactive experiment in which only the products were injected. The results of the analysis showed that using both the reactive and non-reactive chromatography experimental data simultaneously improved the accuracy of the estimation. In addition, correlations between some parameters were revealed.

DOI： 10.1016/j.cherd.2024.01.056

Scopus

Model-based techno–economic analysis of an integrated synthetic natural gas production system with direct air capture and water electrolysis 査読有り国際共著国際誌

Harada H., Sinha A., Yajima T., Kawajiri Y.

Carbon Capture Science and Technology 10 巻 2024年3月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Carbon Capture Science and Technology

In this study, a techno-economic analysis is performed for an integrated system of carbon capture and utilization (CCU). The proposed system utilizes CO2 captured by a direct air capture (DAC) process using a metal–organic framework adsorbent. The captured CO2 is converted into a methane product, or synthetic natural gas (SNG), using hydrogen produced by water electrolysis. Rigorous mathematical models are used for the mass and energy balances in the major components of the proposed integrated system, allowing us to estimate the capital and operating costs and energy consumption. A sensitivity analysis is also performed to identify model parameters that significantly affect the SNG cost. Our analysis indicates that the thermal and electrical energies required to produce SNG are 0.409 MJ/Nm3-SNG and 19.6 kWh/Nm3-SNG, respectively, and the cost of SNG is within the range of 1.43–2.60 $/Nm3-SNG.

DOI： 10.1016/j.ccst.2023.100181

Scopus

Modeling of moving bed CO2 capture process using amine solid adsorbent and its validation using pilot plant test data 査読有り

Takehi Okumura, Takahiro Yamaguchi, Shohei Nishibe, Ryohei Numaguchi, Yoshiaki Kawajiri

International Journal of Greenhouse Gas Control 133 巻頁： 104094 2024年3月

Model-based techno-economic analysis for integrated synthetic natural gas production system using atmospheric CO<inf>2</inf> captured by metal organic framework adsorbent 査読有り国際共著国際誌

Harada H., Sinha A., Yajima T., Kawajiri Y.

Computer Aided Chemical Engineering 53 巻頁： 2023 - 2028 2024年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（国際会議プロシーディングス）出版者・発行元：Computer Aided Chemical Engineering

This study proposes an integrated system of carbon capture and utilization (CCU) to produce synthetic natural gas (SNG), and performs a techno-economic analysis. The proposed system employs a direct air capture (DAC) process using a metal organic framework adsorbent and converts the captured CO2 into CH4 product using H2 produced by water electrolysis. Mass and energy balances in the main components of the system are described by rigorous mathematical models, enabling us to evaluate the capital and operating costs and energy consumption. In addition, a sensitivity analysis is carried out to find model parameters that influences the SNG cost.

DOI： 10.1016/B978-0-443-28824-1.50338-0

Scopus

A Comprehensive Analysis of Ammonia Synthesis over a Commercial Iron-Based Catalyst using Differential and Integral Reactor Models 査読有り国際誌

Mostafa El-Shafie, Hideki Harada, Tomoyuki Yajima, Shoichi Tsuda, Koji Inazu, Yoshiaki Kawajiri

International Journal of Hydrogen Energy 2024年1月

Parameter Estimation for Reactive Chromatography Model by Bayesian Inference and Parallel Sequential Monte Carlo 査読有り国際誌

Hikari Sugiyama, Yota Yamamoto, Kensuke Suzuki, Tomoyuki Yajima, Yoshiaki Kawajiri

Chemical Engineering Research and Design 2024年1月

Mapping adsorbent properties to optimal process performance of two-bed temperature swing adsorption by superstructure optimization 査読有り国際誌

Sugiura Y., Yajima T., Kawajiri Y.

Chemical Engineering and Processing - Process Intensification 191 巻 2023年9月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Chemical Engineering and Processing - Process Intensification

Temperature swing adsorption (TSA) is one of the promising separation techniques for large-scale CO2 capture, and many adsorbents are being developed today. However, it is difficult to identify the optimal operating configurations of multi-bed TSA process to fully utilize the potential of a given adsorbent. This is because optimal operating conditions and cycle configurations are highly dependent on the adsorbent properties. In this work, we propose a comprehensive approach that maps adsorption isotherms to the optimal multi-bed TSA operation identified from various alternatives. A case study for separation of CO2 and N2 is presented where isotherm properties of the adsorbent are parameterized to analyze the influence on the optimal TSA operating cycle configurations and process performance. Our analysis shows that the optimal throughput increases by 68% when the CO2 selectivity is doubled, and 96% when the CO2 selectivity and capacity are both doubled. Furthermore, the frequency of the reflux operations and the cycle time in the optimal operating cycle are found to be dependent on the CO2 capacity.

DOI： 10.1016/j.cep.2023.109438

Scopus

Modeling, parameter estimation, and uncertainty quantification for CO2 adsorption process using flexible metal–organic frameworks by Bayesian Monte Carlo methods 査読有り国際誌

Saeki Sugimoto, Yuya Takakura, Hiroshi Kajiro, Junpei Fujiki, Hossein Dashti, Tomoyuki Yajima, Yoshiaki Kawajiri

Journal of Advanced Manufacturing and Processing 2023年7月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Wiley

Abstract

Flexible metal–organic frameworks (flexible MOFs) are considered promising adsorbents for CO<sub>2</sub> capture, some of which have sigmoidal isotherm shapes that allow adsorption and desorption operations within a narrow partial pressure range. Nevertheless, modeling of adsorption processes employing flexible MOFs remains a challenge due to the unique isotherm shapes and kinetics. In this work, a Bayesian estimation framework is applied sequentially to handle two experimental data sets: isotherm and breakthrough measurements. The computational challenge for estimating the isotherm and kinetic parameters from the isotherm measurements and breakthrough experiments is resolved by Markov chain and sequential Monte Carlo methods. The uncertainties of the model parameters are obtained as probability distributions.

DOI： 10.1002/amp2.10165

Subambient temperature swing adsorption utilizing cold energy from liquefied natural gas 査読有り国際誌

Kuwabara Y., Tokunaga T., Moriyama T., Koizumi M., Mizuno S., Hagino T., Kusaka S., Matsuda R., Yajima T., Kawajiri Y.

International Journal of Greenhouse Gas Control 126 巻 2023年6月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：International Journal of Greenhouse Gas Control

This study proposes a CO2 capture process by temperature swing adsorption (TSA) using latent heat of evaporation for liquefied natural gas (LNG) as a cold energy source, which is currently unused and discarded into seawater. The proposed subambient process has several advantages: (1) the total energy cost can be saved by the LNG cold energy; (2) the equilibrium capacity of CO2 at subambient temperature can be increased substantially; and (3) water in the flue gas which would lead to deterioration of the adsorbent can be removed by a pretreatment step utilizing LNG cold energy. For the adsorbent in the TSA system, zeolite 13X, MIL-101, UiO-66, and CPL-1, which are considered effective for CO2 adsorption in the subambient, were considered and adsorption isotherm data were obtained at subambient conditions. Comparisons of these adsorbents were carried out using a rigorous dynamic model of the TSA process. It was found that CPL-1 gives a high recovery rate of 70% and purity of 95%. It was also found that the proposed system has the potential to capture up to 6% of the CO2 emitted from Japan.

DOI： 10.1016/j.ijggc.2023.103910

Scopus

Breakthrough analysis for parameter estimation of CO<inf>2</inf> adsorption on pelletized flexible metal–organic framework 査読有り国際誌

Fujiki J., Kajiro H., Takakura Y., Yajima T., Kawajiri Y.

Chemical Engineering Journal 460 巻 2023年3月

担当区分：最終著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Chemical Engineering Journal

Pellets of elastic layer-structured metal–organic framework-11 (ELM-11), one of the flexible metal–organic frameworks (MOFs), were prepared by mixing ELM-11 powder with a cellulose binder, and the CO2 adsorption behavior of ELM-11 pellets in a fixed-bed adsorber was analyzed to estimate equilibrium and kinetic parameters. Adsorption breakthrough tests were performed under various conditions for the simulated flue gas (20 % CO2–80 % N2) of a blast furnace gas in addition to CO2 isotherm measurements. Experimental CO2 adsorption isotherms on ELM-11 followed a weighted dual-site Langmuir equilibrium model well. The breakthrough analysis results by numerical calculation using the equilibrium model suggested that the gate-opening pressure of ELM-11 shifted to a lower pressure through repeated breakthrough tests. The CO2 adsorption kinetics on ELM-11 pellets agreed well with the linear-driving-force model. Furthermore, CO2 adsorption behavior under various conditions was described well by a mathematical model using a constant value of the mass transfer coefficient under the condition of this study, which was validated against additional experimental data. In addition, it was found that the mass transfer becomes slow under certain conditions that the driving force of the phase transition of ELM-11 is smaller than a threshold, where the amount of CO2 adsorbed on the breakthrough tests did not reach the equilibrium capacity of CO2, which may because the rate-limiting step may be dependent on the CO2 partial pressure and temperature.

DOI： 10.1016/j.cej.2023.141781

Scopus

Modeling of Nucleation, Growth, and Dissolution of Paracetamol in Ethanol Solution for Unseeded Batch Cooling Crystallization with Temperature-Cycling Strategy 査読有り国際共著国際誌

Youngjo Kim, Yoshiaki Kawajiri, Ronald W. Rousseau, Martha A. Grover

Industrial & Engineering Chemistry Research 62 巻 ( 6 ) 頁： 2866 - 2881 2023年2月

記述言語：英語掲載種別：研究論文（学術雑誌）

Controlling crystal size distributions is critical to ensure the quality of products and operational efficiency for downstream processing. In batch cooling crystallization, temperature cycling strategies are often employed to control the crystal size distribution and minimize fines. Optimizing the complex operation of this strategy, where crystallization and dissolution occur in a single batch run, remains a challenge. For this problem, we develop a model of the process by a population balance considering nucleation, growth, and dissolution of crystals. In a case study of paracetamol in ethanol, the parameters in the population balance model were estimated from multiple experimental runs. The developed model was validated against additional experimental data sets, where the concentration and crystal size distributions of the final crystal products were predicted successfully. R2 values are greater than 0.96 in all cases.

DOI： 10.1021/acs.iecr.2c03465

Scopus

Estimation and statistical analysis of model parameters using sequential Monte Carlo for phenol and p-cresol separation 査読有り国際誌

Yuan Z., Yamamoto Y., Yajima T., Kawajiri Y.

Journal of Chromatography A 1688 巻 2023年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Journal of Chromatography A

Model-based design and optimization methods facilitate industrial applications of chromatographic separations. The uncertainty of the model parameters must be quantified to ensure robust design and control. In this study, we propose an approach using the sequential Monte Carlo (SMC) method based on the Bayesian principle to estimate the uncertainty of the parameters. The linear driving force model for separation of phenol and p-cresol was considered as an example. By comparing different injection tests, we confirmed the necessity of pulse injection and breakthrough experiments to estimate parameters with sufficient accuracy and precision. We also found that modeling observation errors carefully is critical to obtain reasonable estimation.

DOI： 10.1016/j.chroma.2022.463703

Scopus

PubMed

Modeling and estimating kinetic parameters for CO<inf>2</inf> methanation from fixed bed reactor experiments 査読有り国際誌

Tsuboi T., Yasuda S., Choi C., Zhang W., Machida H., Norinaga K., Yajima T., Kawajiri Y.

Journal of Advanced Manufacturing and Processing 5 巻 ( 1 ) 2023年1月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Journal of Advanced Manufacturing and Processing

CO2 methanation, which converts CO2 and hydrogen into methane as fuel, is one of the promising candidates for the development of CO2 utilization technologies. Recently, a highly active catalyst made of Ni/ZrO2 for methanation has been developed, and is currently investigated as a potential use in a high-performance reactor. However, design of reactor must be carried out carefully, since this reaction is highly exothermic, which may cause reactor runaway and deterioration of catalysts. For this problem, a mathematical model that can predict the behavior inside the reactor is necessary. In this work, we consider the methanation reaction of CO2 in a reactor model and estimate the kinetic parameters in the reaction rate model from experimental data. In the parameter estimation using literature values and Tikhonov regularization, eight kinetic parameters in the rate equations were identified from 64 data points with a wide range of conditions. We confirm that molar fractions at the reactor exit predicted by this reactor model are in good agreement with the experimental results. Furthermore, the developed model was validated to predict the compositions and temperature that were not used in the estimation. We expect the developed model will be a powerful tool for the reactor design.

DOI： 10.1002/amp2.10145

Scopus

Modeling and optimal design of multicomponent vacuum pressure swing adsorber for simultaneous separation of carbon dioxide and hydrogen from industrial waste gas 査読有り国際誌

Kakiuchi T., Yajima T., Shigaki N., Kawajiri Y.

Adsorption 29 巻 ( 1 ) 頁： 9 - 27 2023年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Adsorption

Adsorption processes are expected to play an important role in carbon dioxide capture, utilization and storage (CCUS). In particular, blast furnace gas (BFG) from the steel industry is one of the major sources of CO2 emissions, and reducing emissions from this source is a major challenge. BFG can be treated as valuable hydrogen (H2) source through water gas shift reactions, which may allow synthesis of methane and methanol if the purification of these two gases is possible. This study proposes and designs a new Vacuum Pressure Swing Adsorption (VPSA) process that consists of two tandem adsorption columns for simultaneous separation of H2 and CO2 from BFG. A mathematical model is developed to predict the performance of the proposed process. The model is fitted to the experimental data using a VPSA pilot plant, which were demonstrated to predict flow rates within an error of 6%. Furthermore, the model was used to perform multi-objective optimization to analyze trade-offs among throughput, energy consumption, CO2 purity, and recovery. Finally, we analyzed the optimal design and operating conditions such as pressure and column height.

DOI： 10.1007/s10450-022-00371-x

Scopus

Model-Based Analysis of a Highly Efficient CO2 Separation Process Using Flexible Metal–Organic Frameworks with Isotherm Hysteresis 査読有り国際誌

Yuya Takakura, Saeki Sugimoto, Junpei Fujiki, Hiroshi Kajiro, Tomoyuki Yajima, Yoshiaki Kawajiri

ACS Sustainable Chemistry & Engineering 10 巻 ( 45 ) 頁： 14935 - 14947 2022年11月

Performance evaluation of gas fraction vacuum pressure swing adsorption for CO2 capture and utilization process 査読有り国際誌

Nobuyuki Shigaki, Yasuhiro Mogi, Hideo Kijima, Toji Kakiuchi, Tomoyuki Yajima, Yoshiaki Kawajiri

International Journal of Greenhouse Gas Control 120 巻 2022年10月

担当区分：最終著者記述言語：英語掲載種別：研究論文（学術雑誌）

Pressure swing adsorption (PSA) is widely used in various gas separation processes. Many PSA operations have been proposed that require multiple beds having a rinse step in order to obtain a product gas of high purity. This operation may cause re-adsorption of desorbed gases on the adsorbent depending on the process design, which leads to a decrease in the productivity and energy efficiency. In this work, a simple vacuum type PSA (VPSA) process without a rinse step is proposed and demonstrated experimentally for CO2 separation. The proposed VPSA process fractionates the outlet gas from the bed, which allows flexible adjustment of the purity and recovery of the product gas exploiting isotherm nonlinearity. To investigate the performance of the proposed process, a dynamic VPSA simulation was conducted. The performance of this gas fraction VPSA was evaluated also experimentally at the laboratory scale to analyse the trade-offs amongst purity, recovery, productivity and energy efficiency. In our experiment, the highest CO2 recovery of 68.7% was obtained by the newly designed 2-column gas fraction VPSA at the feed gas volume of 76 NL-feed/kg-adsorbent/cycle, which is about 60% higher than 3-column VPSA with a rinse step. The CO2 separation energy estimated from experimental results with assumptions on the efficiency of the compressor and vacuum pump also indicated the possibility of further cost reduction at moderate CO2 purity.

DOI： 10.1016/j.ijggc.2022.103763

Scopus

Reduced building energy consumption by combined indoor CO<inf>2</inf> and H<inf>2</inf>O composition control 査読有り国際共著国際誌

Sinha A., Thakkar H., Rezaei F., Kawajiri Y., Realff M.J.

Applied Energy 322 巻 2022年9月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Applied Energy

Rapid growth in global energy consumption has raised concern on the environmental impacts such as ozone layer depletion and climate change. Enclosed space, such as commercial buildings, accounts for about 40% of global energy consumption and the demand is constantly increasing due to increasing population, urbanization, and economic development. The energy demands in the building sector calls for strategic measures to develop energy efficient technologies. This paper presents a strategy to decrease energy demands inside buildings by proposing a ventilation system which regulates the enclosed air quality resulting in reduced air conditioning. The system consists of multiple adsorption beds with zeolite 13X monoliths for CO2 removal, and silica gel for humidity control, inside the enclosed space. The air conditioning system results in decrease in energy requirement and improvement in economics by 55% as compared with conventional ventilation system. The model is scaled up to the size comparable with total office inventory of New York City, and the reduction in carbon emissions by introducing the air composition control system for New York City is equivalent to replacing 57 million incandescent light bulbs by LEDs. This paper concludes that the air conditioning system proposed in this study results in the improvement in performance as compared to a conventional ventilation system and could reduce energy consumption inside commercial buildings.

DOI： 10.1016/j.apenergy.2022.119526

Scopus

Discrepancy quantification between experimental and simulated data of CO2 adsorption isotherm using hierarchical Bayesian estimation 査読有り国際共著国際誌

Sotaro Kojima, Jongwoo Park, Eli A. Carter, Krista S. Walton, Matthew J. Realff, David S. Sholl, Tomoyuki Yajima, Junpei Fujiki, Yoshiaki Kawajiri

SEPARATION AND PURIFICATION TECHNOLOGY 296 巻 2022年9月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：ELSEVIER

To quantitatively analyze the inconsistencies commonly observed between experimental and simulated adsorption isotherms, parameter estimation of adsorption isotherm models was conducted by hierarchical Bayesian estimation with parameter uncertainties being quantified as probability distributions. The estimation method was implemented using Markov Chain Monte Carlo (MCMC) to analyze multiple data sets obtained from different sources, including a publicly available database. To describe the discrepancies of experimental and simulated adsorption data, the simulation data was set as the reference to which experimental measurements were compared. We applied the proposed approach to analyze CO2 adsorption isotherms that are measured and simulated on zeolite 13X and MIL-101(Cr). In these case studies, the discrepancy of CO2 adsorption isotherm was successfully quantified between experimental measurements and predictions given by molecular simulations using Grand Canonical Monte Carlo (GCMC), where uncertainties were quantified as probability distributions. Furthermore, experimental data sets that agree well with the GCMC simulation have been identified, providing insights into experimental and measurement methods as well as choosing the right assumptions in the molecular simulation.

DOI： 10.1016/j.seppur.2022.121371

Web of Science

Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments 査読有り国際誌

Toshiki Tsuboi, Shoya Yasuda, Cheolyong Choi, Wei Zhang, Hiroshi Machida, Koyo Norinaga, Tomoyuki Yajima, Yoshiaki Kawajiri

Journal of Advanced Manufacturing and Processing 5 巻 ( 1 ) 頁： e10145 2022年9月

Modeling and Optimal Design of Pressure Swing Adsorber for Carbon Dioxide and Hydrogen Separation from Industrial Waste Gas 査読有り国際誌

Toji Kakiuchi, Tomoyuki Yajima, Nobuyuki Shigaki, Yoshiaki Kawajiri

Computer Aided Chemical Engineering 49 巻頁： 853 - 858 2022年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：論文集(書籍)内論文

Recently, carbon dioxide capture utilization and storage (CCUS) is gaining attention as a way to reduce carbon dioxide emissions. Blast furnace gas (BFG) in the steel industry is one of the major sources of carbon dioxide (CO2) emissions, which has the potential to be a hydrogen (H2) source by water gas shift reaction to. In this work, we pursue simultaneous purification of H2 and CO2 from reformed BFG by pressure swing adsorption (PSA). A mathematical model of newly designed PSA for simultaneous separation of CO2 and H2 is developed from experimental results. After fitting to the experimental results to the model, we were able to reproduce the purity and recovery of the recovered gas with an error of about 5 %. The model was also used to perform multi- objective optimization of the PSA process. From the Pareto solutions, the relationship between energy consumption and throughput is analyzed. In addition, it was confirmed that there is an operation condition that can increase the purity of carbon dioxide and throughput while suppressing the decrease of purity and recovery of hydrogen.

DOI： 10.1016/B978-0-323-85159-6.50142-1

Scopus

Comprehensive Quantification of Model Prediction Uncertainty for Simulated Moving Bed Chromatography 査読有り国際誌

Kensuke Suzuki, Tomoyuki Yajima, Yoshiaki Kawajiri

Computer Aided Chemical Engineering 49 巻頁： 943 - 948 2022年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：論文集(書籍)内論文

To realize robust process design and operation of simulated moving bed (SMB) chromatography, prediction uncertainty in a model must be quantified. In this study, we quantify the prediction uncertainty as predictive distributions stemming from a model parameter uncertainty estimated from experimental data. The resulting predictive distributions provide insights into selecting experimental methods to assure reliability of the model predictions and parameters.

DOI： 10.1016/B978-0-323-85159-6.50157-3

Scopus

Determination of Kinetic Parameters for CO<inf>2</inf> Methanation (Sabatier Reaction) over Ni/ZrO<inf>2</inf> at a Stoichiometric Feed-Gas Composition under Elevated Pressure 査読有り国際誌

Choi C., Khuenpetch A., Zhang W., Yasuda S., Lin Y., Machida H., Takano H., Izumiya K., Kawajiri Y., Norinaga K.

Energy and Fuels 35 巻 ( 24 ) 頁： 20216 - 20223 2021年12月

記述言語：英語掲載種別：研究論文（学術雑誌）出版者・発行元：Energy and Fuels

Methanation of CO2 using H2 obtained by renewable energy sources has been gaining attention as one of the promising options for utilizing captured CO2 and surplus power obtained when intermittent power sources such as solar and wind energy are used. Herein, kinetics of CO2 methanation over Ni/ZrO2 was studied using a tubular quartz reactor at 0.9 MPa. The Sabatier reaction (CO2 + 4H2 = CH4 + 2H2O, ΔHr298K = – 165 kJ mol–1) was carried out under stoichiometric gas feeding (CO2/H2 = 1/4 v/v to CH4/H2O = 1/2 v/v), and its reaction rate was determined. The exothermic nature of CO2 methanation and extremely high catalytic activities increased the reaction temperature to 400–600 °C even when the feed-gas temperature was as low as 250–400 °C, and the gas hourly space velocity was as high as 3 × 106 h–1. Nonlinear regression analyses based on one- and multistep kinetic models were used to investigate the reaction rates to estimate the kinetic parameters. Both models with optimized parameters can reproduce the experimentally obtained CH4 formation rates for the entire range of the feed-gas conversion with a coefficient of determination (R2) of over 0.98.

DOI： 10.1021/acs.energyfuels.1c01534

Scopus

Uncertainty quantification for chromatography model parameters by Bayesian inference using sequential Monte Carlo method 査読有り

Yota Yamamoto, Tomoyuki Yajima, Yoshiaki Kawajiri

Chemical Engineering Research and Design 175 巻頁： 223 - 237 2021年11月

Process development for advanced simulated moving bed (ASMB) chromatography by parameter refinement using pilot plant experimental data 査読有り

Hideki Harada, Kensuke Suzuki, Kohei Sato, Kazuo Okada, Masaki Tsuruta, Tomoyuki Yajima, Yoshiaki Kawajiri

Separation and Purification Technology 2021年10月

Utilization of operation data for parameter estimation of simulated moving bed chromatography 査読有り

Kensuke Suzuki, Hideki Harada, Kohei Sato, Kazuo Okada, Masaki Tsuruta, Tomoyuki Yajima, Yoshiaki Kawajiri

Journal of Advanced Manufacturing and Processing 頁： e10103 2021年7月

Integration of material and process design for kinetic adsorption separation 査読有り国際共著

Trisha Sen, Yoshiaki Kawajiri, Matthew J. Realff

Industrial and Engineering Chemistry Research 60 巻 ( 6 ) 頁： 2536 - 2546 2021年2月

記述言語：英語掲載種別：研究論文（学術雑誌）

Kinetic adsorption separation exploits differences in diffusion behavior of different adsorbates in materials and enables selection of the faster over the slower components despite possibly unfavorable equilibrium loading amounts. The aims of this article are to explore the material property space that leads to effective kinetic adsorption separation and to test the predictive value of the current ideal kinetic selectivity metric. This metric is the product of equilibrium selectivity and square root of their diffusivity ratio. Throughout our analysis, we use the Maxwell-Stefan diffusion formulation which has been shown to capture transient crystal diffusion characteristics with greater accuracy than a Fickian description. The study is conducted in two parts. Optimized purity-recovery pareto curves are generated for three-step PSA cycles for four Langmuir isotherms that have no equilibrium selectivity (=1), with varying diffusivity ratio and crystal radius. This highlighted the role of crystal radius and isotherm shape in bed performance objectives and not just the diffusivity ratio. A surrogateassisted illumination (SAIL) algorithm based on single crystal uptake simulations was used to cover a wider range of equilibrium selectivities in a fraction of the time taken for full PSA simulations. We conclude that for similar diffusivities and equilibrium selectivity, steeper isotherms show better kinetic separation performance, in agreement with the existing literature. In addition, the size of the crystal also strongly impacts optimal performance, whereas the diffusivity ratio was found to have a weaker than expected impact. Therefore, using the ideal kinetic selectivity metric mentioned earlier could, in certain cases, be inadequate for comparison of materials for kinetic separation of a target gas mixture. In addition, the combination of SAIL and the single crystal uptake model was successfully able to replicate observations made using full PSA cycle optimizations showing how a multifidelity modeling approach can be used to screen materials for kinetic adsorption separation design.

DOI： 10.1021/acs.iecr.0c05138

Scopus

Model-based optimization strategies for chromatographic processes: a review 招待有り査読有り

Adsorption 27 巻 ( 1 ) 頁： 1 - 26 2021年1月

Analysis of energetics and economics of sub-ambient hybrid post-combustion carbon dioxide capture 査読有り国際共著

Stephen J.A. DeWitt, Rohan Awati, Héctor Octavio Rubiera Landa, Jongwoo Park, Yoshiaki Kawajiri, David S. Sholl, Matthew J. Realff, Ryan P. Lively

AIChE Journal 2021年

記述言語：英語掲載種別：研究論文（学術雑誌）

Adsorption of CO2 from post-combustion flue gas is one of the leading candidates for globally impactful carbon capture systems. This work focused on understanding the opportunities and limitations of sub-ambient CO2 capture processes utilizing a multistage separation process. A hybrid process design using a combination of pressure-driven separation of CO2 from flue gas (e.g., adsorption- or membrane-based separation) followed by CO2-rich product liquefaction to produce high-purity (>99%) CO2 at pipeline conditions is considered. The operating pressure of the separation unit is a key cost parameter and also an important process variable that regulates the available heat removal necessary to reach the sub-ambient operating conditions. The economic viability of applying pressure swing adsorption (PSA) processes using fiber sorbent contactors with internal heat management was found to be most influenced by the productivity of the adsorption system, with productivities as high as 0.015 (Formula presented.) /kgsorb−1 sec−1 being required to reduce costs of capture below $60/ton CO2 captured. This analysis was carried out using a simplified two-bed process, and thus there is opportunity for further cost reduction with exploration of more complex cycle designs. Three exemplar fiber sorbents (MIL-101(Cr), UiO-66, and zeolite 13X) were considered for application in the sub-ambient process of PSA unit. Among the considered sorbents, zeolite 13X fiber composites were found to perform better at ambient temperatures as compared to sub-ambient. MIL-101(Cr) and UiO-66 fiber composites had improved purity, recovery, and productivity at colder temperatures reducing costs of capture as low as $61/ton CO2. Future economic improvement could be achieved by reducing the required operating pressure of the PSA unit and pushing the Pareto frontier closer to the final pipeline requirement via a combination of PSA cycle design and material selection.

DOI： 10.1002/aic.17403

Scopus

Bayesian design of experiments for adsorption isotherm modeling 査読有り国際共著

Jayashree Kalyanaraman, Yoshiaki Kawajiri, Matthew J. Realff

Computers and Chemical Engineering 135 巻 2020年4月

担当区分：責任著者記述言語：英語掲載種別：研究論文（学術雑誌）

© 2020 In this study, a Bayesian approach is demonstrated to identify parameters in adsorption isotherm models. First, we demonstrate the data fusion with Bayesian analysis for which we use CO2 sorption on UiO-66 sorbents. This material has been studied by different groups to report CO2 adsorption data in the NIST database under different conditions. We unify the data in two different ways depending upon the assumption around the error distribution of the data. In the first case study, all the data are assumed to have a common error distribution regardless of the source, and in the second approach, the error distributions of data from different sources are distinguished from each other. We apply a Bayesian approach to perform an optimal experimental design to minimize the uncertainty in adsorption isotherm parameters.

DOI： 10.1016/j.compchemeng.2020.106774

Scopus

How Well Do Approximate Models of Adsorption-Based CO2 Capture Processes Predict Results of Detailed Process Models? 査読有り国際共著

Industrial and Engineering Chemistry Research 59 巻 ( 15 ) 頁： 7097 - 7108 2020年4月

Hierarchical Bayesian estimation for adsorption isotherm parameter determination 査読有り国際共著

Chunkai Shih, Jongwoo Park, David S. Sholl, Matthew J. Realff, Tomoyuki Yajima, Yoshiaki Kawajiri

Chemical Engineering Science 214 巻 2020年3月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）

© 2019 Elsevier Ltd Estimation of isotherm model parameters from experimental data is necessary in adsorption process modeling. To facilitate isotherm modeling, databases that store experimental data exist. Nevertheless, data inconsistency among different researchers must be resolved to find a single set of isotherm parameters from multiple data sets. Herein, we propose a hierarchical Bayesian estimation method to quantify the discrepancy by a multiplicative factor while simultaneously obtaining the probability distributions of a single set of isotherm parameters. This approach also allows us to identify outliers, which are data sets that are not in agreement with other sets. The proposed approach is demonstrated for the case of CO2 adsorption in the metal-organic framework UiO-66.

DOI： 10.1016/j.ces.2019.115435

Scopus

Efficient Evaluation of Vacuum Pressure-Swing Cycle Performance using Surrogate-based, Multi-objective Optimization Algorithm 査読有り国際共著

Rubiera, Landa H.O. Kawajiri, Yoshiaki Realff, Matthew Realff

Computer Aided Chemical Engineering: 30th European Symposium on Computer Aided Process Engineering 48 巻頁： 1801 - 1806 2020年

Design for dynamic operation - A review and new perspectives for an increasingly dynamic plant operating environment 招待有り査読有り国際共著

Swartz Christopher L. E, Kawajiri Yoshiaki

COMPUTERS & CHEMICAL ENGINEERING 128 巻頁： 329 - 339 2019年9月

Application of critical path method to stochastic processes with historical operation data 査読有り

Takakura Yuya, Yajima Tomoyuki, Kawajiri Yoshiaki, Hashizume Susumu

CHEMICAL ENGINEERING RESEARCH & DESIGN 149 巻頁： 195 - 208 2019年9月

Process integration for simulated moving bed reactor for the production of glycol ether acetate 査読有り国際共著

Tie Shan, Sreedhar Balamurali, Donaldson Megan, Frank Timothy, Schultz Alfred K, Bommarius Andreas, Kawajiri Yoshiaki

CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION 140 巻頁： 1 - 10 2019年6月

Experimental evaluation of simulated moving bed reactor for transesterification reaction synthesis of glycol ether ester 査読有り国際共著

Tie Shan, Sreedhar Balamurali, Donaldson Megan, Frank Timothy, Schultz Alfred K, Bommarius Andreas S, Kawajiri Yoshiaki

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 25 巻 ( 4 ) 頁： 795-807 2019年5月

Adsorption Process Intensification through Structured Packing: A Modeling Study Using Zeolite 13X and a Mixture of Propylene and Propane in Hollow-Fiber and Packed Beds 査読有り国際共著

Sen Trisha, Kawajiri Yoshiaki, Realff Matthew J

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 58 巻 ( 15 ) 頁： 5750-5767 2019年4月

Development of Phase-Change-Based Thermally Modulated Fiber Sorbents 査読有り国際共著

DeWitt Stephen J. A, Landa Hector, Octavio Rubiera, Kawajiri Yoshiaki, Realff Matthew, Lively Ryan P

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 58 巻 ( 15 ) 頁： 5768-5776 2019年4月

Design for dynamic operation - A review and new perspectives for a dynamic manufacturing environment 招待有り査読有り国際共著

Christopher L.E. Swartz Yoshiaki Kawajiri

Proceedings of Process Systems Engineering 2018 頁： . 2018年7月

Unification of an empirical and a physically-based approach to crystallization monitoring 査読有り国際共著

Youngjo Kim Kayla C. Dean Yoshiaki Kawajiri Ronald W. Rousseau Martha A. Grover

Proceedings of American Control Conference 2018 頁： . 2018年6月

Transesterification of propylene glycol methyl ether by reactive simulated moving bed chromatography using homogeneous catalyst 査読有り国際共著

Oh Jungmin, Sreedhar Balamurali, Donaldson Megan E., Frank Timothy C., Schultz Alfred K., Bommarius Andreas S., Kawajiri Yoshiaki

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 24 巻 ( 3 ) 頁： 309-324 2018年4月

A concurrent approach for process design and multicomponent adsorption modeling with local isotherms 査読有り国際共著

Siwei Guo, Pranav Vengsarkar, Jason Bentley, Mike Weber, Gaurav Agrawal, Catherine Dorsi, Yoshiaki Kawajiri

Chemical Engineering Science 171 巻頁： 426-439 2017年11月

担当区分：最終著者,　責任著者掲載種別：研究論文（学術雑誌）

© 2017 Elsevier Ltd An iterative approach is proposed to predict the optimal concentration profiles in an adsorption process and to simultaneously obtain parameters for a multicomponent isotherm by selecting representative liquid compositions for experimental measurements. The proposed approach was demonstrated for xylene adsorption on zeolite 13X that has undergone a barium ion exchange. Breakthrough experiments were performed at liquid compositions predicted by the process model, which was refined in an iterative manner with the experimental data. Robustness of the isotherm parameters for model uncertainty and variations in the process design were also analyzed.

DOI： 10.1016/j.ces.2017.05.043

Pumping liquid metal at high temperatures up to 1,673 kelvin 査読有り

C. Amy, D. Budenstein, M. Bagepalli, D. England, F. DeAngelis, G. Wilk, C. Jarrett, C. Kelsall, J. Hirschey, H. Wen, A. Chavan, B. Gilleland, C. Yuan, W. C. Chueh, K. H. Sandhage, Y. Kawajiri, A. Henry

550 巻 ( 7675 ) 頁： 199 - + 2017年10月

Using MC plots for control of paracetamol crystallization 査読有り

Griffin Daniel J., Kawajiri Yoshiaki, Rousseau Ronald W., Grover Martha A.

CHEMICAL ENGINEERING SCIENCE 164 巻頁： 344-360 2017年6月

Modeling of Nucleation and Growth Kinetics for Unseeded Batch Cooling Crystallization 査読有り

Li Huayu, Kawajiri Yoshiaki, Grover Martha A., Rousseau Ronald W.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 56 巻 ( 14 ) 頁： 4060-4073 2017年4月

Systems Design and Economic Analysis of Direct Air Capture of CO2 through Temperature Vacuum Swing Adsorption Using MIL-101(Cr)-PEI-800 and mmen-Mg-2(dobpdc) MOF Adsorbents 査読有り

Sinha Anshuman, Darunte Lalit A., Jones Christopher W., Realff Matthew J., Kawajiri Yoshiaki

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 56 巻 ( 3 ) 頁： 750-764 2017年1月

Optimal Design of Integrated SMB-Crystallization Hybrid Separation Process Using a Binary Solvent 査読有り

Sreedhar Balamurali, Shen Baochun, Li Huayu, Rousseau Ronald, Kawajiri Yoshiaki

ORGANIC PROCESS RESEARCH & DEVELOPMENT 21 巻 ( 1 ) 頁： 31-43 2017年1月

Model-based design and experimental validation of simulated moving bed reactor for production of glycol ether ester 査読有り

Tie Shan, Sreedhar Balamurali, Agrawal Gaurav, Oh Jungmin, Donaldson Megan, Frank Timothy, Schultz Alfred, Bommarius Andreas, Kawajiri Yoshiaki

CHEMICAL ENGINEERING JOURNAL 301 巻頁： 188-199 2016年10月

Transesterification of propylene glycol methyl ether in chromatographic reactors using anion exchange resin as a catalyst 査読有り

Oh Jungmin, Sreedhar Balamurali, Donaldson Megan E., Frank Timothy C., Schultz Alfred K., Bommarius Andreas S., Kawajiri Yoshiaki

JOURNAL OF CHROMATOGRAPHY A 1466 巻頁： 84-95 2016年9月

Uncertainty Quantification via Bayesian Inference Using Sequential Monte Carlo Methods for CO2 Adsorption Process 査読有り

Kalyanaraman Jayashree, Kawajiri Yoshiaki, Lively Ryan P., Realff Matthew J.

AICHE JOURNAL 62 巻 ( 9 ) 頁： 3352-3368 2016年9月

Data-Driven Modeling and Dynamic Programming Applied to Batch Cooling Crystallization 査読有り

Daniel J. Griffin, Martha A. Grover, Yoshiaki Kawajiri, Ronald W. Rousseau

Industrial and Engineering Chemistry Research 55 巻 ( 5 ) 頁： 1361-1372 2016年2月

掲載種別：研究論文（学術雑誌）

© 2016 American Chemical Society. In this article, we demonstrate a model-based approach for controlling the average size of crystals produced by batch cooling crystallization. The method is distinguished most notably in the modeling strategy. Rather than developing a crystallization model within the population-balance framework, as is usually done, we apply a machine-learning technique to identify an empirical model from measurement data. The model is low-dimensional and can therefore be discretized and used with dynamic programming to obtain optimal control policies for producing crystals of targeted average sizes in prespecified batch run times. Experimental results are reported that demonstrate the use of the identified policies to produce crystals of the desired average sizes in the specified run times.

DOI： 10.1021/acs.iecr.5b03635

Reaction Kinetics of Concentrated-Acid Hydrolysis for Cellulose and Hemicellulose and Effect of Crystallinity 査読有り

Kanchanalai Pakkapol, Temani Gaurav, Kawajiri Yoshiaki, Realff Matthew J.

BIORESOURCES 11 巻 ( 1 ) 頁： 1672-1689 2016年2月

Critical limitations on the efficiency of two-step thermochemical cycles 査読有り

Jarrett Colby, Chueh William, Yuan Cansheng, Kawajiri Yoshiaki, Sandhage Kenneth H., Henry Asegun

SOLAR ENERGY 123 巻頁： 57-73 2016年1月

A new solar fuels reactor using a liquid metal heat transfer fluid: modeling and sensitivity analysis 査読有り

Cansheng Yuan, Colby Jarett, William Chueh,, Yoshiaki Kawajiri, Asegun Henry

Journal of Thermal Engineering 4 巻 ( 4 ) 頁： 837 - 852 2016年

Mass-count plots for crystal size control 査読有り

Griffin Daniel J., Grover Martha A., Kawajiri Yoshiaki, Rousseau Ronald W.

CHEMICAL ENGINEERING SCIENCE 137 巻頁： 338-351 2015年12月

A new solar fuels reactor concept based on a liquid metal heat transfer fluid: Reactor design and efficiency estimation 査読有り

Yuan Cansheng, Jarrett Colby, Chueh William, Kawajiri Yoshiaki, Henry Asegun

SOLAR ENERGY 122 巻頁： 547-561 2015年12月

Bayesian estimation of parametric uncertainties, quantification and reduction using optimal design of experiments for CO2 adsorption on amine sorbents 査読有り

Kalyanaraman Jayashree, Fan Yanfang, Labreche Ying, Lively Ryan P., Kawajiri Yoshiaki, Realff Matthew J.

COMPUTERS & CHEMICAL ENGINEERING 81 巻頁： 376-388 2015年10月

Full Superstructure for Multiobjective Optimization of Multicolumn Chromatography for Ternary Separations 査読有り

Agrawal Gaurav, Kawajiri Yoshiaki

CHEMICAL ENGINEERING & TECHNOLOGY 38 巻 ( 9 ) 頁： 1677-1682 2015年9月

CO2 Sorption Performance of Composite Polymer/Aminosilica Hollow Fiber Sorbents: An Experimental and Modeling Study 査読有り

Fan Yanfang, Kalyanaraman Jayashree, Labreche Ying, Rezaei Fateme, Lively Ryan P., Realff Matthew J., Koros William J., Jones Christopher W., Kawajiri Yoshiaki

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 54 巻 ( 6 ) 頁： 1783-1795 2015年2月

Modeling and experimental validation of carbon dioxide sorption on hollow fibers loaded with silica-supported poly(ethylenimine) 査読有り

Kalyanaraman Jayashree, Fan Yanfang, Lively Ryan P., Koros William J., Jones Christopher W., Realff Matthew J., Kawajiri Yoshiaki

CHEMICAL ENGINEERING JOURNAL 259 巻頁： 737-751 2015年1月

Conversion improvement for catalytic synthesis of propylene glycol methyl ether acetate by reactive chromatography: Experiments and parameter estimation 査読有り

Oh Jungmin, Agrawal Gaurav, Sreedhar Balamurali, Donaldson Megan E., Schultz Alfred K., Frank Timothy C., Bommarius Andreas S., Kawajiri Yoshiaki

CHEMICAL ENGINEERING JOURNAL 259 巻頁： 397-409 2015年1月

Optimization and Technoeconomic Analysis of Rapid Temperature Swing Adsorption Process for Carbon Capture from Coal-Fired Power Plant 査読有り

Subramanian Swernath, Katherine Searcy, Fateme Rezaei, Ying Labreche, Ryan P. Lively, Matthew J. Realff, Yoshiaki Kawajiri

Computer Aided Chemical Engineering 36 巻頁： 253-278 2015年1月

担当区分：最終著者,　責任著者記述言語：英語掲載種別：研究論文（学術雑誌）

© 2015 Elsevier B.V. Greenhouse gas emissions from coal-fired power plants are expected to increase over the next 20 years as international demand for energy continues to grow. A rapid temperature swing adsorption (RTSA) process employing polymeric hollow fiber contactors loaded with sorbent particles has been demonstrated experimentally as a novel and efficient process for postcombustion CO < inf > 2 < /inf > capture. One of the advantages of the process is the rapid heat and mass transfer enabled by the hollow fibers. This feature can achieve efficient heat integration by recycling spent hot and cold water. In this chapter, a dynamic optimization strategy was employed to find the optimal operating conditions of a hollow fiber RTSA process. In the optimization problem, dynamic heat integration is performed to minimize the utility cost for hot and cold water while maintaining sufficient CO < inf > 2 < /inf > throughput. The optimal operation was evaluated by a detailed technoeconomic analysis for a plant capacity of 550 MW.

DOI： 10.1016/B978-0-444-63472-6.00010-0

Scopus

Feedback Control of Multicomponent Salt Crystallization 査読有り

Griffin Daniel J., Kawajiri Yoshiaki, Grover Martha A., Rousseau Ronald W.

CRYSTAL GROWTH & DESIGN 15 巻 ( 1 ) 頁： 305-317 2015年1月

Controlled crystallization of salts from nuclear waste solutions 査読有り

Daniel Griffin, Martha Grover, Yoshiaki Kawajiri, Ronald Rousseau

Proceedings of Annual Waste Management 2015 頁： . 2015年

Optimization of two-stage cooling profile in unseeded batch crystallization 査読有り

King Jared C., Li Huayu, Grover Martha A., Kawajiri Yoshiaki, Rousseau Ronald W.

IFAC PAPERSONLINE 48 巻 ( 8 ) 頁： 297-302 2015年

Dynamic Modelling and Optimal Design of the Solid-Phase Reactive Chromatographic Separation System for Biomass Saccharification via Acid Hydrolysis 査読有り

Kanchanalai Pakkapol, Realff Matthew J., Kawajiri Yoshiaki

12TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING (PSE) AND 25TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING (ESCAPE), PT A 37 巻頁： 929-934 2015年

COMBINING ATR-FTIR AND FBRM FOR FEEDBACK ON CRYSTAL SIZE 査読有り

Griffin Daniel J., Grover Martha A., Kawajiri Yoshiaki, Rousseau Ronald W.

2015 AMERICAN CONTROL CONFERENCE (ACC) 頁： 4308-4313 2015年

Dynamic Modelling and Optimal Design of the Solid-Phase Reactive Chromatographic Separation System for Biomass Saccharification via Acid Hydrolysis 査読有り

Kanchanalai Pakkapol, Realff Matthew J., Kawajiri Yoshiaki

12TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING (PSE) AND 25TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING (ESCAPE), PT A 37 巻頁： 929-934 2015年

Simulated moving bed chromatography designs for lanthanide and actinide separations using Reillex HPQ (TM) resin 査読有り

Sreedhar Balamurali, Hobbs David T., Kawajiri Yoshiaki

SEPARATION AND PURIFICATION TECHNOLOGY 136 巻頁： 50-57 2014年11月

Solid-Phase Reactive Chromatographic Separation System: Optimization-Based Design and Its Potential Application to Biomass Saccharification via Acid Hydrolysis 査読有り

Kanchanalai Pakkapol, Realff Matthew J., Kawajiri Yoshiaki

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 53 巻 ( 41 ) 頁： 15946-15961 2014年10月

Evaluation of tertiary pyridine resin for the separation of lanthanides by simulated moving-bed chromatography 査読有り国際共著

Sreedhar Balamurali, Suzuki Tatsuya, Hobbs David T., Kawajiri Yoshiaki

JOURNAL OF SEPARATION SCIENCE 37 巻 ( 20 ) 頁： 2892-2899 2014年10月

Optimization of reactive simulated moving bed systems with modulation of feed concentration for production of glycol ether ester 査読有り

Agrawal Gaurav, Oh Jungmin, Sreedhar Balamurali, Tie Shan, Donaldson Megan E., Frank Timothy C., Schultz Alfred K., Bommarius Andreas S., Kawajiri Yoshiaki

JOURNAL OF CHROMATOGRAPHY A 1360 巻頁： 196-208 2014年9月

Multi-column chromatographic process development using simulated moving bed superstructure and simultaneous optimization - Model correction framework 査読有り

Sreedhar Balamurali, Kawajiri Yoshiaki

CHEMICAL ENGINEERING SCIENCE 116 巻頁： 428-441 2014年9月

Robust multicomponent IR-to-concentration model regression 査読有り

Griffin Daniel J., Grover Martha A., Kawajiri Yoshiaki, Rousseau Ronald W.

CHEMICAL ENGINEERING SCIENCE 116 巻頁： 77-90 2014年9月

Systematic optimization and experimental validation of ternary simulated moving bed chromatography systems 査読有り

Agrawal Gaurav, Sreedhar Balamurali, Kawajiri Yoshiaki

JOURNAL OF CHROMATOGRAPHY A 1356 巻頁： 82-95 2014年8月

Experimental Validation of Optimized Model-Based Startup Acceleration Strategies for Simulated Moving Bed Chromatography 査読有り国際共著

Bentley Jason, Li Suzhou, Kawajiri Yoshiaki

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 53 巻 ( 30 ) 頁： 12063-12076 2014年7月

Modeling of rapid temperature swing adsorption using hollow fiber sorbents 査読有り

Rezaei Fateme, Subramanian Swernath, Kalyanaraman Jayashree, Lively Ryan P., Kawajiri Yoshiaki, Realff Matthew J.

CHEMICAL ENGINEERING SCIENCE 113 巻頁： 62-76 2014年7月

Application of an Empirical FBRM Model to Estimate Crystal Size Distributions in Batch Crystallization 査読有り

Li Huayu, Kawajiri Yoshiaki, Grover Martha A., Rousseau Ronald W.

CRYSTAL GROWTH & DESIGN 14 巻 ( 2 ) 頁： 607-616 2014年2月

Optimization and heat integration of hollow fiber based thermal swing adsorption process for CO2 capture from flue gas 査読有り

Swernath Subramanian, Rezaei Fateme, Kalyanaraman Jayashree, Lively Ryan. P., Realff Matthew J., Kawajiri Yoshiaki

PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF COMPUTER-AIDED PROCESS DESIGN 34 巻頁： 633-638 2014年

Bayesian Estimation, Uncertainty Propagation and Design of Experiments for CO2 Adsorption on Amine Sorbents 査読有り

Kalyanaraman Jayashree, Kawajiri Yoshiaki, Realff Matthew J.

PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF COMPUTER-AIDED PROCESS DESIGN 34 巻頁： 345-350 2014年

A methodology for monitoring concentrations of complex waste solutions 査読有り

Daniel Griffin, Martha Grover, Yoshiaki Kawajiri, Ronald Rousseau

Proceedings of Annual Waste Management (WM) Conference 頁： . 2014年

Optimization and heat integration of hollow fiber based thermal swing adsorption process for CO2 capture from flue gas 査読有り

Swernath Subramanian, Rezaei Fateme, Kalyanaraman Jayashree, Lively Ryan. P., Realff Matthew J., Kawajiri Yoshiaki

PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF COMPUTER-AIDED PROCESS DESIGN 34 巻頁： 633-638 2014年

Cost and Energy Savings Using an Optimal Design of Reverse Osmosis Membrane Pretreatment for Dilute Bioethanol Purification 査読有り

Kanchanalai Pakkapol, Lively Ryan P., Realff Matthew J., Kawajiri Yoshiaki

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 52 巻 ( 32 ) 頁： 11132-11141 2013年8月

Simultaneous modeling and optimization of nonlinear simulated moving bed chromatography by the prediction-correction method 査読有り

Bentley Jason, Sloan Charlotte, Kawajiri Yoshiaki

JOURNAL OF CHROMATOGRAPHY A 1280 巻頁： 51-63 2013年3月

Prediction-Correction Method for Optimization of Simulated Moving Bed Chromatography 査読有り

Bentley Jason, Kawajiri Yoshiaki

AICHE JOURNAL 59 巻 ( 3 ) 頁： 736-746 2013年3月

Development of an empirical method relating crystal size distributions and FBRM measurements 査読有り

Li Huayu, Grover Martha A., Kawajiri Yoshiaki, Rousseau Ronald W.

CHEMICAL ENGINEERING SCIENCE 89 巻頁： 142-151 2013年2月

Thermally moderated hollow fiber sorbent modules in rapidly cycled pressure swing adsorption mode for hydrogen purification 査読有り

Lively Ryan P., Bessho Naoki, Bhandari Dhaval A., Kawajiri Yoshiaki, Koros William J.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 37 巻 ( 20 ) 頁： 15227-15240 2012年10月

Comparison of various ternary simulated moving bed separation schemes by multi-objective optimization 査読有り

Agrawal Gaurav, Kawajiri Yoshiaki

JOURNAL OF CHROMATOGRAPHY A 1238 巻頁： 105-113 2012年5月

Optimization of ternary simulated moving bed separation by superstructure formulation 査読有り

Gaurav Agrawal, Yoshiaki Kawajiri

Proceedings of Foundations of Computer-Aided Process Operation (FOCAPO) 頁： . 2012年

Optimal Process Configurations of Bioethanol Dehydration for Different Ethanol Inlet Concentrations and Throughputs 査読有り

Kanchanalai Pakkapol, Realff Matthew J., Kawajiri Yoshiaki

11TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING, PTS A AND B 31 巻頁： 425-429 2012年

Optimization of startup and shutdown operation of simulated moving bed chromatographic processes 査読有り国際共著

Li Suzhou, Kawajiri Yoshiaki, Raisch Joerg, Seidel-Morgenstern Andreas

JOURNAL OF CHROMATOGRAPHY A 1218 巻 ( 25 ) 頁： 3876-3889 2011年6月

Optimizing the separation of gaseous enantiomers by simulated moving bed and pressure swing adsorption 査読有り国際共著

Bentley Jason, Huang Qinglin, Kawajiri Yoshiaki, Eic Mladen, Seidel-Morgenstern Andres

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 17 巻 ( 1 ) 頁： 159-170 2011年2月

Optimization of simulated moving bed chromatography with fractionation and feedback incorporating an enrichment step 査読有り国際共著

Li Suzhou, Kawajiri Yoshiaki, Raisch Joerg, Seidel-Morgenstern Andreas

21ST EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING 29 巻頁： 818-822 2011年

Optimal startup operation of simulated moving bed chromatographic processes 査読有り国際共著

Suzhou Li, Yoshiaki Kawajiri, Jörg Raisch, Jörg Raisch, Andreas Seidel-Morgenstern, Andreas Seidel-Morgenstern

IFAC Proceedings Volumes (IFAC-PapersOnline) 9 巻頁： 733-738 2010年12月

記述言語：英語掲載種別：研究論文（国際会議プロシーディングス）

SMB represents one of the widely established periodic adsorption processes and its periodic and nonlinear dynamics presents a significant challenge to the formulation and solution of the optimal startup issue. A multistage startup concept allowing to adjust operating conditions stage-wise is proposed. The startup problem is then formulated aiming at driving the system towards the reference cyclic steady state (CSS) in an optimum manner. A tailored decomposition algorithm is developed to tackle the resulting optimization problem and guarantee numerical tractability. The feasibility of the solution approach is demonstrated on a binary separation with nonlinear competitive isotherms. It is found that the new startup policy dramatically reduces transient time and desorbent consumption. The startup performance in terms of product concentration and purity is also evaluated quantitatively. © 2009 IFAC.

DOI： 10.3182/20100705-3-BE-2011.0056

Scopus

Optimization of simulated moving bed chromatography with fractionation and feedback: Part II. Fractionation of both outlets 査読有り国際共著

Li Suzhou, Kawajiri Yoshiaki, Raisch Joerg, Seidel-Morgenstern Andreas

JOURNAL OF CHROMATOGRAPHY A 1217 巻 ( 33 ) 頁： 5349-5357 2010年8月

Optimization of simulated moving bed chromatography with fractionation and feedback: Part I. Fractionation of one outlet 査読有り国際共著

Li Suzhou, Kawajiri Yoshiaki, Raisch Joerg, Seidel-Morgenstern Andreas

Journal of Chromatography A 1217 巻 ( 33 ) 頁： 5337 - 5348 2010年8月

Interactive Multiobjective Optimization of Superstructure SMB Processes 査読有り国際共著

Hakanen Jussi, Kawajiri Yoshiaki, Biegler Lorenz T., Miettinen Kaisa

MULTIOBJECTIVE PROGRAMMING AND GOAL PROGRAMMING: THEORETICAL RESULTS AND PRACTICAL APPLICATIONS 618 巻頁： 221-+ 2009年

Comparison of configurations of a four-column simulated moving bed process by multi-objective optimization 査読有り