eArticles

1. ARTICLE

Catalytic conversion mechanism of guaiacol as the intermediate of lignin catalytic pyrolysis on MgO surface: Density functional theory calculation

Author: by Bai, Mengna ^{a, ⁎}; Song, Zhiheng ^a; Yang, Zheng ^b; Guo, Zhiqing ^a; Liu, Yizhou ^b; Guo, Haoran ^a; Lei, Hanwu ^c; Huo, Erguang ^{b, c, ⁎}
Source: In Journal of Molecular Liquids 1 January 2023 369

2. ARTICLE

Control of heat-integrated indirect triple-column extractive distillation for separating ternary azeotropic mixture tetrahydrofuran-ethyl acetate-water

Author: by Zhu, Shuangshuang ^a; Yang, Ao ^{b, c}; Kong, Zong Yang ^{d, ⁎}; Sun, Shirui ^{e, ⁎}; Bai, Mengna ^f; Sunarso, Jaka ^g
Source: In Separation and Purification Technology 1 March 2023 308

3. ARTICLE

Gasification of α-O-4 linkage lignin dimer in supercritical water into hydrogen and carbon monoxide: Reactive molecular dynamic simulation study

Author: by Song, Zhiheng ^{a, b}; Bai, Mengna ^{a, b, ⁎}; Yang, Zheng ^{a, c}; Lei, Hanwu ^d; Qian, Moriko ^d; Zhao, Yunfeng ^e; Zou, Rongge ^d; Wang, Chenxi ^d; Huo, Erguang ^{a, c, d, ⁎}
Source: In Fuel 1 December 2022 329

4. ARTICLE

The thermal decomposition and interaction mechanism of HFC-245fa/HFC-227ea mixture: A reactive molecular dynamic simulation and density functional method calculation study

Author: by Huo, Erguang ^{a, b, c, ⁎}; Wang, Shukun ^d; Bai, Mengna ^{a, e, ⁎}
Source: In Computational and Theoretical Chemistry November 2022 1217

5. ARTICLE

Pyrolysis mechanism study of n-heptane as an endothermic hydrocarbon fuel: A reactive molecular dynamic simulation and density functional theory calculation study

Author: by Huo, Erguang ^{a, b, ⁎}; Zhang, Shijie ^c; Xin, Liyong ^b; Wang, Shukun ^d; Cai, Shouyin ^b; Zhang, Lu ^b; Bai, Mengna ^{e, ⁎}
Source: In Computational and Theoretical Chemistry May 2022 1211

6. ARTICLE

Thermal decomposition and interaction mechanism of HFC-227ea/n-hexane as a zeotropic working fluid for organic Rankine cycle

Author: by Huo, Erguang ^a; Hu, Zheng ^b; Wang, Shukun ^c; Xin, Liyong ^d; Bai, Mengna ^{e, ∗}
Source: In Energy 1 May 2022 246

7. ARTICLE

Sustainable design and multi-objective optimization of eco-efficient extractive distillation with single and double entrainer(s) for separating the ternary azeotropic mixture tetrahydrofuran/ethanol/methanol

Author: by Yang, Ao ^a; Wang, Wenhe ^a; Sun, Shirui ^{b, ⁎}; Shi, Tao ^c; Ren, Jingzheng ^c; Bai, Mengna ^d; Shen, Weifeng ^{b, ⁎}
Source: In Separation and Purification Technology 15 March 2022 285

8. ARTICLE

Density functional theory study on the decomposition mechanism of HFC-32 on a Cu(1 1 1) surface: The impact of H2O and O2

Author: by Bai, Mengna ^{a, ⁎}; Chen, Jiu ^b; Feng, Zhitao ^c; Sun, Yanyan ^a; Hu, Yingyuan ^a; Zhao, Xin ^a
Source: In Journal of Molecular Liquids 15 February 2022 348

9. ARTICLE

Towards sustainable separation of the ternary azeotropic mixture based on the intensified reactive-extractive distillation configurations and multi-objective particle swarm optimization

Author: by Yang, Ao ^{a, ∗∗∗}; Su, Yang ^b; Sun, Shirui ^c; Shen, Weifeng ^{c, ∗}; Bai, Mengna ^d; Ren, Jingzheng ^{e, ∗∗}
Source: In Journal of Cleaner Production 15 January 2022 332

10. ARTICLE

Thermal decomposition and interaction mechanism of HFC-134a/HFC-32 mixture in Organic Rankine Cycle

Author: by Si, Mingjin ^{a, b, 1}; Kuai, Le ^{a, 1}; Huo, Erguang ^{a, b, c, ⁎}; Li, Lize ^{a, b}; Bai, Mengna ^{a, d, ⁎}
Source: In Journal of Environmental Chemical Engineering January 2022

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