A new 3D conceptual structure modeling of biochars by molecular mechanic and molecular dynamic simulation

Zhao Nan; Lv Yizhong; Yang Xixiang

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A new 3D conceptual structure modeling of biochars by molecular mechanic and molecular dynamic simulation

机译：一种新的生物炭3D概念结构建模的分子力学和分子动力学模拟

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摘要

The combination of analytical chemistry and simulation methods provides more complete information about biochars.

机译：分析化学和模拟方法的结合可提供有关生物炭的更完整信息。

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来源
《Journal of soil & sediments》 |2017年第3期|641-655|共15页
作者
Zhao Nan; Lv Yizhong; Yang Xixiang;
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作者单位

China Agr Univ, Coll Resources & Environm Sci, Beijing 100193, Peoples R China|Chinese Acad Sci, Dept Environm Nanomat, Ecoenvironm Sci Res Ctr, Beijing 100085, Peoples R China;

China Agr Univ, Coll Resources & Environm Sci, Beijing 100193, Peoples R China;

Kyushu Univ, Grad Sch Engn, Dept Appl Chem, Nishi Ku, 744 Motooka, Fukuoka 8190395, Japan;

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原文格式 PDF
正文语种 eng
中图分类
关键词
C-13 nuclear magnetic resonance; 3D structure; Biochar; Conceptual model; Elemental concentration; Pyrolysis-gas chromatography-mass spectrometry; Molecular simulation; Optimized potential for liquid simulation force field;

机译：C-13核磁共振;3D结构;生物炭;概念模型;元素浓度;热解-气相色谱-质谱;分子模拟;液体模拟力场的最佳电位;

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A new 3D conceptual structure modeling of biochars by molecular mechanic and molecular dynamic simulation

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