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Current research and development approaches for irregular porous materials can be classified into the three types shown in Figure 1. Compared to material and interface design approaches, the structure design approach is challenging because no effective method to model realistic porous structures is available presently. To counter this issue, the authors have developed a novel porous structure simulator POCO2, the basic algorithm of which is shown in Figure 2. The POCO2 program is based on an original overlap-allowed particle packing method, where overlaps of particles are allowed up to a certain overlap ratio (Figure 3), and can construct various irregular porous structures as shown in Figure 4. We have also developed tools to quantitatively evaluate microstructures of porous materials, such as cross-sectional area (Figure 5), surface area (Figure 6), pore volume (Figure 7), and triple phase boundary length (Figure 8). In order to investigate the influence of microstructures on the characteristics of irregular porous materials, we have developed a simulator of the overpotential of a solid oxide fuel cell (SOFC) anode (Figure 9). We constructed a model of a Ni-YSZ anode (Figure 10(a)) and confirmed that the overpotential calculated by our simulator agreed well with the experimentally reported value (Figure 10(b)). Finally, we have proposed a scheme for the rational optimization of the microstructure of irregular porous materials (Figure 11(a)) and showed the preliminary results obtained so far (Figure 11(b) and (c)). 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  1. 080 繊維学部
  2. 0801 学術論文

不規則性多孔体微細構造最適化のための三次元多孔質シミュレータPOCO^2の開発と応用

http://hdl.handle.net/10091/3820
7800fcff-00c6-487e-ad7b-65745cee4a0b
名前 / ファイル ライセンス アクション
7_55.pdf 7_55.pdf (566.9 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2010-01-20
タイトル
言語 ja
タイトル 不規則性多孔体微細構造最適化のための三次元多孔質シミュレータPOCO^2の開発と応用
言語
言語 jpn
キーワード
主題Scheme Other
主題 三次元多孔質シミュレータ
キーワード
主題Scheme Other
主題 重複許容粒子パッキング法
キーワード
主題Scheme Other
主題 不規則性多孔体
キーワード
主題Scheme Other
主題 微細構造最適化
キーワード
主題Scheme Other
主題 Three-dimensional porous structure simulator
キーワード
主題Scheme Other
主題 Overlap-allowed particle packing method
キーワード
主題Scheme Other
主題 Irregular porous materials
キーワード
主題Scheme Other
主題 Microstructure optimization
資源タイプ
資源 http://purl.org/coar/resource_type/c_6501
タイプ journal article
その他(別言語等)のタイトル
その他のタイトル Development of Three-Dimensional Porous Structure Simulator POCO^2 for Simulations of Irregular Porous Materials
著者 古山, 通久

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WEKO 41086

古山, 通久

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扇谷, 恵

× 扇谷, 恵

WEKO 41087

扇谷, 恵

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服部, 達哉

× 服部, 達哉

WEKO 41088

服部, 達哉

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福長, 博

× 福長, 博

WEKO 41089

福長, 博

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鈴木, 愛

× 鈴木, 愛

WEKO 41090

鈴木, 愛

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SAHNOUN, Riadh

× SAHNOUN, Riadh

WEKO 41091

SAHNOUN, Riadh

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坪井, 秀行

× 坪井, 秀行

WEKO 41092

坪井, 秀行

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畠山, 望

× 畠山, 望

WEKO 41093

畠山, 望

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遠藤, 明

× 遠藤, 明

WEKO 41094

遠藤, 明

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高羽, 洋充

× 高羽, 洋充

WEKO 41095

高羽, 洋充

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久保, 百司

× 久保, 百司

WEKO 41096

久保, 百司

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信州大学研究者総覧へのリンク
氏名 福長, 博
URL http://soar-rd.shinshu-u.ac.jp/profile/ja.gVTmjekV.html
出版者
出版者 Society of Computer Chemistry, Japan
引用
内容記述タイプ Other
内容記述 Journal of Computer Chemistry, Japan 7(2): 55-62(2008)
書誌情報 Journal of Computer Chemistry, Japan

巻 7, 号 2, p. 55-62, 発行日 2008-06-15
抄録
内容記述タイプ Abstract
内容記述 数十nmから数μmの不規則な細孔構造を有する多孔体(不規則性多孔体)は、自動車触媒、排ガス処理用フィルタ、燃料電池用電極触媒、リチウム電池用電極触媒などをはじめとして様々な用途に用いられている。これら不規則性多孔体の特性・信頼性向上に向けた研究開発アプローチは、材料物性の制御、相互作用界面に注目した界面制御、大表面積・高活性化のための構造制御、に大別される。このうち構造制御は、理論的に有効な手法が存在せず、実験による経験的試行錯誤による研究開発が大きな役割を果たしてきた。著者らは、不規則性多孔体微細構造の合理的最適化というブレイクスルーに向けて、三次元多孔質シミュレータを開発してきた。本研究では、開発した三次元多孔質シミュレータを固体酸化物燃料電池(SOFC)の燃料極へと具体的に応用し、実験結果に対する合致からその妥当性を確認した。さらに、三次元多孔質シミュレータに基づく微細構造最適化のための手法を提案し、予備的な結果に基づいて提案手法の展開可能性を示すことに成功した。 Irregular porous materials with pore sizes of several tens nm to μm are widely used in industrial applications such as automobile catalysts, gas separation filters, fuel cell electrodes, and lithium ion battery electrodes. Current research and development approaches for irregular porous materials can be classified into the three types shown in Figure 1. Compared to material and interface design approaches, the structure design approach is challenging because no effective method to model realistic porous structures is available presently. To counter this issue, the authors have developed a novel porous structure simulator POCO2, the basic algorithm of which is shown in Figure 2. The POCO2 program is based on an original overlap-allowed particle packing method, where overlaps of particles are allowed up to a certain overlap ratio (Figure 3), and can construct various irregular porous structures as shown in Figure 4. We have also developed tools to quantitatively evaluate microstructures of porous materials, such as cross-sectional area (Figure 5), surface area (Figure 6), pore volume (Figure 7), and triple phase boundary length (Figure 8). In order to investigate the influence of microstructures on the characteristics of irregular porous materials, we have developed a simulator of the overpotential of a solid oxide fuel cell (SOFC) anode (Figure 9). We constructed a model of a Ni-YSZ anode (Figure 10(a)) and confirmed that the overpotential calculated by our simulator agreed well with the experimentally reported value (Figure 10(b)). Finally, we have proposed a scheme for the rational optimization of the microstructure of irregular porous materials (Figure 11(a)) and showed the preliminary results obtained so far (Figure 11(b) and (c)). Based on our preliminary results, we confirmed the potential feasibility of the proposed scheme.
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内容記述タイプ Other
内容記述 Article
ISSN
収録物識別子タイプ ISSN
収録物識別子 1347-1767
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA11657986
権利
権利情報 Copyright 2008 Society of Computer Chemistry, Japan. This paper was published in 古山 通久, 扇谷 恵, 服部 達哉, 福長 博, 鈴木 愛, SAHNOUN Riadh, 坪井 秀行, 畠山 望, 遠藤 明, 高羽 洋充, 久保 百司, A. DEL CARPIO Carlos, 宮本 明, J. Comput. Chem. Jpn., Vol. 7, No. 2, 55-62 (2008). The internet address of the above Jounal is as follows: http://joi.jlc.jst.go.jp/JST.JSTAGE/jccj/H1923
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出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
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