Faculty Profiles - NORINAGA Koyo

CFD simulation of CO2 methanation through the Sabatier reaction in a shell-and-tube reactor incorporating phase change on the shell side Reviewed

Kazui Fukumoto, Wei Zhang, Risa Mizoguchi, Yixiong Lin, Cheolyong Choi, Hiroshi Machida, Koyo Norinaga

Fuel Vol. 349 page： 128126 - 128126 2023.10

Modeling the Chemical Structures of Coals with Different Classifications Using Mean Molecular Weights Open Access

Hata Yuki, Hayashizaki Hideyuki, Takanohashi Toshimasa, Takahashi Takafumi, Kanehashi Koji, Norinaga Koyo

Tetsu-to-Hagane Vol. 109 ( 10 ) page： 792 - 801 2023.10

Language：Japanese Publishing type：Research paper (scientific journal) Publisher：The Iron and Steel Institute of Japan

The chemical structure models for the extractions and residues of two types of bituminous coals, A and B, were constructed. The molecular weights of the extractions were determined via gel permeation chromatography (GPC). New standard materials with structures similar to those of coal extraction (i.e., 9, 10- diphenylanthracene, 5,6,11,12-tetraphenylnaphthracene, and chemical compounds A (Mw = 811) and B (Mw = 1135), which were synthesized using the coupling reaction) were adopted for GPC in order to obtain more accurate mean molecular weights than those in literature. Furthermore, a support program for constructing chemical structure models based on 1H nuclear magnetic resonance (NMR) spectra was adopted. The coal models constructed suitably indicate the differences between the types of coal. In particular, it is found that a high pyridine-insoluble fraction extracted rate, which accounts for the most significant difference between the total extracted rates for coals A and B, enhance the coking property of coal A. In addition, the cluster size in the magic solvent-insoluble fraction might affect the softening property of coal.

DOI： 10.2355/tetsutohagane.TETSU-2023-042

Open Access

Facile Synthesis and Insight of Atomically Dispersed Ni Catalyst on N-Doped Carbonized Lignin for Highly Efficient Electrochemical CO2 Reduction to CO Reviewed Open Access

Park, GD; Sirisomboonchai, S; Norinaga, K

CHEMSUSCHEM Vol. 16 ( 16 ) page： e202300530 2023.8

Language：English Publishing type：Research paper (scientific journal) Publisher：Chemsuschem

For the electrochemical CO<inf>2</inf> reduction reaction (CO<inf>2</inf>RR), the single-metal atom catalysts (SACs) on N-doped carbon are considered promising alternatives to conventional catalysts owing to their unique electrocatalytic properties. However, environmentally friendly methods to prepare SACs are still required. Herein, Ni SAC was synthesized using lignin derived from biomass whose structural and chemical properties render it suitable as both a base carbon matrix and a metal chelating agent. The coordination environment of active Ni−N<inf>x</inf> sites was readily manipulated by controlling thermal activation. The Ni SAC on lignin-derived N-doped carbon achieved an outstanding CO Faradaic efficiency of 98.2 % at −0.9 V vs. RHE, which is comparable to those of conventional SACs. Experimental results combined with DFT calculations demonstrate the optimal conditions for manufacturing Ni SAC which is highly selective for CO<inf>2</inf>-to-CO conversion and the effect of the electronic structure of Ni atom on CO<inf>2</inf>RR kinetics.

DOI： 10.1002/cssc.202300530

6-1-1 Overall electrochemical CO2 reduction - oxygen evolution reaction system via electrodeposition bimetallic covered Cu-foam based electrode Reviewed

SIRISOMBOONCHAI Suchada, MACHIDA Hiroshi, NORINAGA Koyo

Proceedings of the Annual Conference of The Japan Institute of Energy Vol. 32 ( 0 ) page： 116 - 117 2023.8

Language：English Publishing type：Research paper (scientific journal) Publisher：The Japan Institute of Energy

CO2 reduction reaction(CO2RR), as a potential path toward converting CO2 to fuel, is of great significance for alleviating the shortage of fossil fuels and combatting global climate change. Cu foam (CF) exhibits high electrochemical water splitting and CO2 reduction activity. Practical electrochemical overall CO2RR−OER two-electrode systems include a CO2RR at the cathode and an oxygen evolution reaction (OER) at the anode. Herein, we emphasized the CF-modified surface for the two-side reaction by constructing earth-abundant materials on the CF-modified surface with InZnCu/CF as the cathode and Cu(OH)2 NWs@NiCo-LDH as the anode. These were efficient for a CO2RR system with a potential close to an ideal thermodynamic potential for an overall CO2RR−OER. Although this system had different metal composites on both sides, this still allowed a sustainable operation for 40 h with high efficiency. Moreover, we emphasized a further development in scalability. Thus, the energy input for the conversion of CO per ton of CO2 resulted in a low range. The demonstration of the CO2RR−OER provided a facile method of fabricating electrodes based on CF and a constructed overall CO2RR system, which will guide the future development of practical industrial applications.

DOI： 10.20550/jietaikaiyoushi.32.0_116

4-4-1 Effect of fluid temperature on heat transfer and flow behavior in a sublimation tank Reviewed

YAMAGUCHI Hiroyasu, UEHARA Yusuke, MACHIDA Hiroshi, NORINAGA Koyo, SAITO Yasuhiro

Proceedings of the Annual Conference of The Japan Institute of Energy Vol. 32 ( 0 ) page： 90 - 91 2023.8

Language：Japanese Publishing type：Research paper (scientific journal) Publisher：The Japan Institute of Energy

This study investigated the temperature distribution in a laboratory-scale sublimation tank. Numerical simulations in the sublimation tank which cooled CO2 gas at a cold plate were performed to examine the effect of the inlet and initial temperatures of CO2 gas on the temperature distribution. The results showed that the inlet temperature had a minimal impact on the temperature distribution in the tank due to the low flowrate of the gas. In contrast, a decrease in the initial temperature resulted in the increase of the sublimation region below the sublimation temperature, indicating the possibility of dry ice deposition in areas other than near the cold plate.

DOI： 10.20550/jietaikaiyoushi.32.0_90

4-5-1 Design and Optimization of the Flexible Poly-generation Process for Methanol and Formic Acid from CO2 Hydrogenation Under Uncertain Product Prices☆ Reviewed

LI Qiao, MACHIDA Hiroshi, NORINAGA Koyo

Proceedings of the Annual Conference of The Japan Institute of Energy Vol. 32 ( 0 ) page： 98 - 99 2023.8

Language：English Publishing type：Research paper (scientific journal) Publisher：The Japan Institute of Energy

During the design of the carbon capture and hydrogen storage process, a flexible CO2 hydrogenation poly-generation process for methanol and formic acid synthesis was developed to reduce recycling flow and feedstock losses in the single methanol synthesis process and increase product diversity. This poly-generation process is formulated as the MINLP model, which was optimized using a two-stage optimization strategy with the unscented transform tool to obtain optimal design and operating parameters that are computationally tractable. For investment decision-makers, the flexible polygeneration process can achieve higher profits and reduce potential market risks when they have adequate financing.

DOI： 10.20550/jietaikaiyoushi.32.0_98

Insights into structure-performance relationship in radial flow fixed bed reactor for CO2 methanation Reviewed

Zhang, W; Lin, YX; Norinaga, K

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY Vol. 48 ( 64 ) page： 24594 - 24606 2023.7

Language：English Publishing type：Research paper (scientific journal) Publisher：International Journal of Hydrogen Energy

The extraction of petroleum and natural gas is often accompanied by a large number of associated gases, especially the high CO<inf>2</inf> content reservoirs facing the emission of a large amount of CO<inf>2</inf>. CO<inf>2</inf> methanation is recognized as one of the suitable candidates for CO<inf>2</inf> utilization to reduce the emission of CO<inf>2</inf>. Because of the highly exothermic nature of the reaction, however, it is very important to enhance the heat transfer process inside the reactor and inhibit the formation of hot spots. In the fixed bed reactor, the heat transfer in the radial direction is greatly limited compared with that in the axial direction. Thus, this work adopted the radial flow reactor to evaluate the CO<inf>2</inf> methanation process by the means of a numerical model based on OpenFOAM. Four types of radial flow reactor configurations, namely centrifugal Z-type, centrifugal Π-type, centripetal Z-type, and centripetal Π-type, were compared. The fluid flow, heat transfer, and reaction performances for these reactors were discussed under consistent operating conditions. Results show that the centrifugal Π-type structure has the most uniform flow field. In terms of heat transfer and reaction performance, the centripetal Z-type structure is the best among the four radial flow reactor configurations. These findings provide a theoretical basis and technical guidance for designing and developing radial flow reactors.

DOI： 10.1016/j.ijhydene.2023.03.343

Polycyclic aromatic hydrocarbons (PAHs) and soot formations under different gasifying agents: Detailed chemical kinetic analysis of a two-stage entrained flow coal gasifier Reviewed

Tailin Li, Cheolyong Choi, Kazui Fukomoto, Hiroshi Machida, Koyo Norinaga

Fuel Vol. 343 page： 127876 - 127876 2023.7

Facile pyridinization of bio-based furfural into 3-hydroxypyridines over Raney Fe catalyst Reviewed

Ren, DZ; Jiang, XL; Zhang, NH; Duo, J; Norinaga, K; Huo, ZB

BIOMASS CONVERSION AND BIOREFINERY Vol. 13 ( 9 ) page： 8115 - 8121 2023.6

Language：English Publishing type：Research paper (scientific journal) Publisher：Biomass Conversion and Biorefinery

Production of pyridine derivatives from bio-based feedstocks instead of fossil fuels is a promising strategy. The development of effective heterogeneous catalysts and mild reaction systems for pyridinization of renewable biomass derivatives remains a huge challenge. In this article, a direct and environment-friendly method was reported to produce 3-hydroxypyridine from bio-based furfural in water over a Raney Fe catalyst. Raney Fe exhibited an efficient catalytic performance for activation of the aldehyde group of furfural and afforded an 18.2% yield of 3-hydroxypyridine at 120 °C with ammonia as N source. The polymerization of furfural on the catalyst in hot water was the main cause of deactivation, which was verified by the scanning electron microscope (SEM), X-ray diffraction (XRD), and N<inf>2</inf> adsorption and desorption analysis. A possible mechanism for this reaction was also proposed. This study provides a new way for academia and industry to realize the synthesis of nitrogen-containing chemicals from biomass and its derivatives.

DOI： 10.1007/s13399-021-01802-5

CFD simulation of CVD reactors in the CH3SiCl3(MTS)/H2 system using a two-step MTS decomposition and one-step SiC growth models Reviewed Open Access

Ogawa, T; Fukumoto, K; Machida, H; Norinaga, K

HELIYON Vol. 9 ( 4 ) page： e15061 2023.4

Language：English Publishing type：Research paper (scientific journal) Publisher：Heliyon

In this study, we report on a computational fluid dynamics (CFD) simulation of the chemical vapor deposition reactor of silicon carbide (SiC) in the methyltrichlorosilane (MTS, CH<inf>3</inf>SiCl<inf>3</inf>)/H<inf>2</inf> system. The formation of SiC thin film is controlled by various process parameters, such as temperature and pressure. In this study, we propose a reaction mechanism of MTS decomposition to SiC growth on a substrate surface for CVD reactors in the CH<inf>3</inf>SiCl<inf>3</inf>(MTS)/H<inf>2</inf> system. The reaction mechanism has two gas-phase pyrolysis reactions and one SiC film formation reaction. However, we individually build and validate MTS decomposition and SiC growth models to reduce uncertainty. An in-house version of reactingFoam, a reactive flow solver within OpenFOAM v2006, was used as the simulation tool. Our model accurately reproduced MTS decomposition for T = 1100–1350 K and [H<inf>2</inf>]/[MTS] = 2.65–14 at p = 101,325 Pa. Then, the MTS decomposition model was coupled with the SiC growth model, and the coupled model was applied to the SiC deposition data. The model could reproduce multiple datasets through validation studies.

DOI： 10.1016/j.heliyon.2023.e15061

Lattice Boltzmann study on the effect of hierarchical pore structure on fluid flow and coke formation characteristics in open-cell foam for dry reforming of methane Reviewed Open Access

Lin, YX; Yang, C; Zhang, W; Machida, H; Norinaga, K

CHEMICAL ENGINEERING SCIENCE Vol. 268 2023.3

Language：English Publishing type：Research paper (scientific journal) Publisher：Chemical Engineering Science

Dry reforming of methane (DRM) is one of the feasible strategies for carbon capture and utilization. However, the DRM process has a high tendency toward carbon deposition, which is restricted to industrial applications. In order to further improve coke formation resistance, open-cell foam with hierarchical pore structure was investigated. An artificial algorithm was adopted to construct a hierarchical pore structure in open-cell foam. Based on a 3-D lattice Boltzmann model, this work explored the effect of two hierarchical pore structure parameters on the fluid flow and coke formation characteristics in open-cell foam, which are hierarchical pore volume ratio (V<inf>2</inf>/V<inf>1</inf>) and hierarchical pore size ratio (d<inf>2</inf>/d<inf>1</inf>). The results indicated that increasing V<inf>2</inf>/V<inf>1</inf> and d<inf>2</inf>/d<inf>1</inf> can significantly promote permeability. Under the restriction ofV<inf>2</inf>/V<inf>1</inf> = 4, from d<inf>2</inf>/d<inf>1</inf> = 1 to 4, the coke formation rate decreases by approximately 57.49 %. These findings provide a theoretical basis and technical guidance for designing and developing open-cell foam reactors.

DOI： 10.1016/j.ces.2022.118380

Estimation of effective thermal conductivity in open-cell foam with hierarchical pore structure using lattice Boltzmann method Reviewed

Japanese Gasification Technology Reviewed

NODA Reiji, ENOMOTO Hiroshi, NAMIOKA Tomoaki, FUSHIMI Chihiro, HOSOKAI Sou, NORINAGA Koyo

Nihon Enerugii Gakkai Kikanshi Enermix Vol. 102 ( 1 ) page： 74 - 79 2023.1

Lin, YX; Yang, C; Zhang, W; Fukumoto, K; Saito, Y; Machida, H; Norinaga, K

APPLIED THERMAL ENGINEERING Vol. 218 2023.1

Language：English Publishing type：Research paper (scientific journal) Publisher：Applied Thermal Engineering

Effective thermal conductivity in open-cell foam with hierarchical pore structure was estimated using lattice Boltzmann method. A new structure algorithm was proposed to reconstruct hierarchical pore structure in open-cell foam. In order to elucidate the heat transfer characteristics in hierarchical pore structure, the effect of structure parameters, namely the hierarchical pore size ratio (d<inf>2</inf>/d<inf>1</inf>), the hierarchical pore volume ratio (V<inf>2</inf>/V<inf>1</inf>), and temperature on the effective thermal conductivity was investigated. These results indicated that hierarchical pore structure is unfavorable to the effective thermal conductivity in open-cell foam for the heat conduction process. At high temperatures (T<inf>ave</inf> = 450–1650 K), however, the effective thermal conductivity in hierarchical pore structure is higher than that in uniform pore structure considering heat radiation. Furthermore, for the heat conduction process, a correlation of the effective thermal conductivity related to open-cell foam with hierarchical pore structure was proposed and validated by available experimental data.

DOI： 10.1016/j.applthermaleng.2022.119314

Boosting in-situ hydrodeoxygenation of fatty acids over a fine and oxygen-vacancy-rich NiAl catalyst br Reviewed Open Access

Wang, JY; Ren, DZ; Zhang, NH; Lang, JY; Du, YY; He, WH; Norinaga, K; Huo, ZB

RENEWABLE ENERGY Vol. 202 page： 952 - 960 2023.1

Language：English Publishing type：Research paper (scientific journal) Publisher：Renewable Energy

Hydrodeoxygenation (HDO) of fatty acids into long-chain alkanes for aviation fuels with alcohol hydrogen donor at mild condition over Ni-based catalyst is a practicable subject. However, highly active sites design for Ni-based catalyst remains significant challenges. Herein, a fine NiAl particle catalyst with numerous oxygen vacancy sites was fabricated via hydrothermal and reduction treatment. Introduction of small amount of Al species into Ni catalyst not only reduces the Ni particle size exposing plenty of active sites, but also generates oxygen vacancies in AlO<inf>x</inf> and sets up charge transfer in Ni-AlO<inf>x</inf> interfaces, thus guarantees the excellent in-situ HDO activity of fatty acids using isopropanol as hydrogen donor. Density functional theory calculation results further reveal that Ni (111) modified by AlO<inf>x</inf> with oxygen vacancy improves the charge density in Ni-AlO<inf>x</inf> interface and enhances the adsorption of fatty acid, facilitating the hydrodeoxygenation process. Benefiting from these attributes, Ni–Al<inf>0.33</inf>O<inf>x</inf> presented superior catalytic activity and stability, which achieved 93.2% yield of n-heptadecane at 250 °C and was able to reuse at least 4 times. Therefore, the as-prepared Ni–Al<inf>0.33</inf>O<inf>x</inf> is a promising Ni-based catalyst for alkanes production via in-situ HDO of fatty acids at mild conditions.

DOI： 10.1016/j.renene.2022.11.095

Modeling and estimating kinetic parameters for CO2 methanation from fixed bed reactor experiments Reviewed

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

Journal of Advanced Manufacturing and Processing Vol. 5 ( 1 ) 2023.1

Language：English Publishing type：Research paper (scientific journal) Publisher：Journal of Advanced Manufacturing and Processing

CO<inf>2</inf> methanation, which converts CO<inf>2</inf> and hydrogen into methane as fuel, is one of the promising candidates for the development of CO<inf>2</inf> utilization technologies. Recently, a highly active catalyst made of Ni/ZrO<inf>2</inf> 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 CO<inf>2</inf> 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