Mechanisms of the CO2 and H2O co-adsorption behavior of functionalized porous carbons: perspectives of the molecular clustering effect.

官能化多孔質炭素におけるCO2とH2Oの共吸着挙動のメカニズム：分子クラスタリング効果の観点から (AI 翻訳)

Hongyu Chen, Da Wei, Wenji Pi, Peixin Wang, Kueasook Ratchadaporn, Yong Liu, Peng He, Zijie Sun, Changqing Su, Xiang Xu, Zheng Zeng, Liqing Li

Physical Chemistry, Chemical Physics - PCCP📚 査読済 / ジャーナル2026-07-02#CCUS経営インパクト: コスト削減対象セクター: chemical

DOI: 10.1039/d5cp01772f

原典: https://doi.org/10.1039/d5cp01772f

🤖 gxceed AI 要約

日本語

本研究は、多孔質炭素材料を用いたCO2とH2Oの共吸着挙動を分子レベルで解明した。官能基導入により、高圧下での吸着性能が変化し、特にG-C3-Pは高湿条件下でも高いCO2吸着能を維持する。水分子のクラスタリング効果が吸着機構に重要であることを示した。

English

This study investigates the co-adsorption behavior of CO2 and H2O in functionalized porous carbons at the molecular level. It reveals that surface functionalization significantly affects adsorption performance under humid conditions, with G-C3-P maintaining high CO2 uptake even at high pressures. The clustering effect of water molecules is key to understanding the competitive and synergistic mechanisms.

Unofficial AI-generated summary based on the public title and abstract. Not an official translation.

📝 gxceed 編集解説 — Why this matters

日本のGX文脈において

本論文は、CCUS技術の効率化に資する多孔質炭素吸着材の設計指針を提供する。日本では、2030年までのCCUS実証拡大が目標として掲げられており、高湿環境下でのCO2選択的吸着は実用化に向けた重要な知見である。

In the global GX context

This paper provides mechanistic insights critical for developing efficient carbon capture materials under realistic humid conditions, directly supporting global CCUS deployment goals such as those in the IEA net-zero scenarios. The molecular-level understanding of co-adsorption can guide the design of next-generation sorbents.

👥 読者別の含意

🔬研究者:Provides molecular-level mechanistic insights for designing functionalized porous carbons for CO2 capture in humid conditions.

🏢実務担当者:Offers guidance on selecting or designing porous carbon adsorbents for industrial CCUS applications where humidity is present.

📄 Abstract（原文）

The efficient and selective capture of carbon dioxide in humid environments has emerged as a pivotal aspect in carbon capture, utilization and storage (CCUS) technology. Herein, the adsorption properties and mechanism of porous carbons for a CO2 and H2O gas mixture were investigated. This study focused on the co-adsorption behavior of CO2 and H2O in M-doped (M = N, P, S, and O) surface-functionalized graphene models and explored the competitive and synergistic mechanisms at a microscopic level. In the relatively low pressure range, all G-Rs (functionalized-graphene surfaces) exhibit a similar superior CO2 adsorption performance for both dry and humid conditions when compared with G-None (pristine graphene surface). However, at high pressures, G-None, G-NH2 and especially G-C3-P maintain a high CO2 adsorption capacity under the humid condition, while the CO2 uptakes on G-CO, G-SO3H and G-(CO)C2PO show a significant reduction under humid condition. For example, under humid condition, the CO2 uptake on G-C3-P is 15.8 mmol cm-3 at 300 kPa, while the adsorption capacity of CO2 on G-(CO)C2PO decreases to 2.9 mmol cm-3. These results were obtained owing to the different aggregation effects of water on G-Rs at high pressures. In addition, the adsorption behaviors and intrinsic mechanism of CO2 and H2O between G-Rs were analyzed through two different clustering effects for H2O, including centralized clustering and decentralized clustering. This work precisely disentangles the co-adsorption process and mechanism of CO2 and H2O and offers an innovative perspective on the development of high-performance porous carbon adsorbents for optimal CO2 capture.

🔗 Provenance — このレコードを発見したソース

semanticscholar https://doi.org/10.1039/d5cp01772ffirst seen 2026-07-04 05:30:51

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