Molecular reaction dynamics simulation of pyrolysis mechanism of typical bituminous coal via ReaxFF
-
摘要: 建立合理有效的烟煤大分子模型，采用基于反应力场（Reactive Force Field，ReaxFF）的分子动力学方法模拟1400-2600 K典型烟煤的热解过程，得出产物分布和中间自由基的演变历程。研究表明，随着热解温度的升高，焦炭产量先增加后降低，焦油产量的变化趋势与焦炭相反，热解气产量单调增加。煤在低温下热解主要发生一次反应，生成焦油自由基碎片和小分子气体；高温下焦油碎片的二次反应显著，生成含量较多但数量较少的焦炭及含量与数量较多的小分子气体。2000 K是一次反应向二次反应的温度转折点。在高温热解时，煤中的C与H逐渐迁移到焦炭和焦油中，而含氧官能团较为活跃，O逐渐迁移到热解气中。二次反应阶段，O最活泼，H次之，C最稳定。热解过程中最先产生的气体是H2O；NH3主要来源于二次反应；H2S在二次反应阶段被消耗转化为其他产物；H2产量最多，且随热解温度升高而增加，尤其在二次反应中大量生成，主要源于裂解产生的氢自由基碰撞和芳香结构的缩合。基于ReaxFF模拟结果得到煤热解失重活化能为39.45 kJ/mol。Abstract: A reasonable and effective macromolecular model of bituminous coal was established. The molecular dynamics method based on reactive force field (ReaxFF) was used to simulate the pyrolysis process of typical bituminous coal in the range of 1400-2600 K. The distribution of products and evolution of intermediate radicals were analyzed. Calculation results showed that with increase of pyrolysis temperature, yield of char firstly increased and then decreased, while the trend in tar production was opposite. Yield of pyrolysis gas increased monotonously with increasing temperature. The pyrolysis of coal at low temperature mainly experienced primary reaction with formation of tar free radical fragments and small molecular gases. At high temperature, the secondary reaction of tar fragments was remarkable, and char with more content but less quantity and small molecular gas with more content and quantity were produced. The temperature turning point from the primary reaction to the second one was 2000 K. Under the high temperature pyrolysis conditions, C and H in coal gradually migrated into char and tar, while oxygen-containing functional groups were more active, resulting in migration of O to pyrolysis gases. In the secondary reaction stage, comparing chemical properties of the three elements C, H and O, O was the most active, H was the second, and C was the most stable. H2O was firstly released during pyrolysis. NH3 mainly came from secondary reactions during which H2S was consumed and converted into other products. Yield of H2 was the highest, and increased with increasing pyrolysis temperature. A large amount of H2 was generated in secondary reactions, which was mainly from collision of hydrogen radicals generated from pyrolysis and condensation of aromatic structures. Based on ReaxFF simulation results, the weightless activation energy of coal pyrolysis was 39.45 kJ/mol.
-
Key words:
- bituminous coal /
- pyrolysis /
- char /
- tar /
- activation energy /
- ReaxFF
-
图 2 优化所得烟煤大分子3D模型(C2136H1884N20O128S8)
Figure 2 3D model of optimized bituminous coal structure (C2136H1884N20O128S8)
图 3 不同温度下热解产物中焦炭、焦油、气体的分布
Figure 3 Distribution of char, tar and gas in pyrolysis products at different temperatures
图 4 不同温度下分子数量随时间的变化
Figure 4 Changes in number of molecules with time at different temperatures
图 5 2600 K下不同热解时刻体系构型快照
Figure 5 Snapshots of system configuration at different pyrolysis times at 2600 K
图 6 不同温度分子种类随时间的变化
Figure 6 Variation of molecular species with time at different temperatures
图 8 焦炭中C、H、O三种元素组成及变化规律
Figure 8 Composition and variation of C, H and O elements in char
图 10 焦油中C、H、O三种元素组成及变化规律
Figure 10 The composition and variation of C, H and O elements in tar
图 11 气体小分子释放随热解温度的演化
Figure 11 Evolution of gaseous small molecule release with pyrolysis temperature
图 12 不同温度下H2分子数量随时间的变化
Figure 12 Number of H2 molecules over time at different temperatures
图 14 1800与2600 K下煤热解的产物分布
Figure 14 Distribution of pyrolysis products at 1800 K and 2600 K
图 15 二次反应下焦炭与焦油的C、H、O元素组成及变化规律
Figure 15 Evolutions of C, H and O elements in char and tar during secondary reactions
图 16 2600 K温度下典型气体产物随热解时间的变化
Figure 16 Variation of typical gas products with pyrolysis time at 2600 K
图 17 基于ReaxFF结果得到的煤热解失重速率常数
Figure 17 Weight loss rate constant of coal pyrolysis based on ReaxFF results
表 1 煤模型中添加分子种类及数量
Table 1 Types and number of molecules in the coal model
Types of molecules Number of molecules Wiser 6 C16H16O3 2 C17H24S 2 C9H12 3 C28H27OS2 2 C21H24O3 2 C5H10O3 2 C12H16O2 3 C34H31NO4 1 C22H26O 1 -COOH 2 -CH2- 2 -CH3 2 
下载: 导出CSV
表 2 温度对反应速率常数的影响
Table 2 Effect of temperature on reaction rate constant
T /K k /(×108，s-1) 1400 4.85 1600 6.22 1800 10.8 2000 12.54
下载: 导出CSV
-
[1] 岳光溪, 周大力, 田文龙, 麻林巍, 刘青, 章景皓, 王志轩, 龙辉, 廖海燕.中国煤炭清洁燃烧技术路线图的初步探讨[J].中国工程科学, 2018, 20(3):74-79. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=7000853390YUE Guang-xi, ZHOU Da-li, TIAN Wen-long, MA Lin-wei, LIU Qing, ZHANG Jing-hao, WANG Zhi-xuan, LONG Hui, LIAO Hai-yan. Preliminary discussion on the technology roadmap of clean coal combustion in China[J]. Eng Sci, 2018, 20(3):74-79. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=7000853390 [2] 陈兆辉, 敦启孟, 石勇, 高士秋.热解温度和反应气氛对输送床煤快速热解的影响[J].化工学报, 2017, 68(4):1566-1573. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201704036CHEN Zhao-hui, DUN Qi-meng, SHI Yong, GAO Shi-qiu. Effects of pyrolysis temperature and atmosphere on rapid coal pyrolysis in transport bed reactor[J]. CIESC J, 2017, 68(4):1566-1573. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201704036 [3] 常清华, 李宏俊, 崔童敏, 樊文克, 于广锁, 王辅臣.含水量对神府煤快速热解过程气体释放及孔隙结构变化的影响[J].燃料化学学报, 2017, 45(4):427-435. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb201704006CHANG Qing-hua, LI Hong-jun, CUI Tong-min, FAN Wen-ke, YU Guang-suo, WANG Fu-chen. Effect of moisture content on gas release and pore structure development of wetted Shenfu coal during rapid pyrolysis[J]. J Fuel Chem Technol, 2017, 45(4):427-435. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb201704006 [4] 杨志荣, 孟庆岩, 黄戒介, 王志青, 李春玉, 房倚天.神木煤与不同黏结煤共热解交互作用规律的研究[J].燃料化学学报, 2018, 46(6):641-648. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb201806001YANG Zhi-rong, MENG Qing-yan, HUANG Jie-jie, WANG Zhi-qing, LI Chun-yu, FANG Yi-tian. Interaction between Shenmu coal and different caking coals during co-pyrolysis[J]. J Fuel Chem Technol, 2018, 46(6):641-648. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb201806001 [5] 赵宁, 刘东, 赵锰锰, 张智琛, 项在金.陕北低阶烟煤回转热解反应特性[J].中国石油大学学报(自然科学版), 2019, 43(3):167-175. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=sydxxb201903020ZHAO Ning, LIU Dong, ZHAO Meng-meng, ZHANG Zhi-chen, XIANG Zai-jin. Rotary pyrolysis characteristic of low rank coal from northern Shaanxi[J]. J China Univ Pet, 2019, 43(3):167-175. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=sydxxb201903020 [6] HE W J, LIU Z Y, LIU Q Y, CI D H, LIEVENS C, GUO X F. Behaviors of radical fragments in tar generated from pyrolysis of 4 coals[J]. Fuel, 2014, 134:375-380. doi: 10.1016/j.fuel.2014.05.064 [7] GODDARD W A, MERINOV B, van DUIN A C T, JACOB T, BLANCO M, MOLINERO V, JANG S S, JANG Y H. Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes[J]. Mol Simul, 2006, 32(3/4):251-268. doi: 10.1080/08927020600599709 [8] ZHANG X X, XIE M, WU H X, LÜ X X, ZHOU Z J. DFT study of the effect of Ca on NO heterogeneous reduction by char[J]. Fuel, 2020, 265:116995. doi: 10.1016/j.fuel.2019.116995 [9] ZHANG X X, WU H X, XIE M, LÜ X X, ZHOU Z J, LIN R Y. A thorough theoretical exploration of the effect mechanism of Fe on HCN heterogeneous formation from nitrogen-containing char[J]. Fuel, 2020, 280:118662. doi: 10.1016/j.fuel.2020.118662 [10] 许紫阳, 岳爽, 王春波, 刘瑞琪.焦炭催化CO还原NO的反应机理研究[J].燃料化学学报, 2020, 48(3): 266-274. http://www.cnki.com.cn/Article/CJFDTotal-RLHX20200416006.htm XÜ Zi-yang, YUE Shuang, WANG Chun-bo, LIU Rui-qi. Reaction mechanism of NO reduction with CO catalyzed by char[J]. J Fuel Chem Technol, 2020, 48(3): 266-274. http://www.cnki.com.cn/Article/CJFDTotal-RLHX20200416006.htm [11] 厉志鹏, 牛胜利, 赵改菊, 韩奎华, 李英杰, 路春美, 程屾. Sr掺杂对CaO(100)表面吸附甲醇影响的分子模拟[J].燃料化学学报, 2020, 48(2):172-178. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb202002006LI Zhi-peng, NIU Sheng-li, ZHAO Gai-ju, HAN Kui-hua, LI Ying-jie, LU Chun-mei, CHENG Shen. Molecular simulation study of strontium doping on the adsorption of methanol on CaO (100) surface[J]. J Fuel Chem Technol, 2020, 48(2):172-178. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=rlhxxb202002006 [12] 邓军, 李亚清, 张玉涛, 杨超萍, 张静, 史学强.羟基(-OH)对煤自燃侧链活性基团氧化反应特性的影响[J].煤炭学报, 2020, 45(1):232-240. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=mtxb202001024DENG Jun, LI Ya-qing, ZHANG Yu-tao, YANG Chao-ping, ZHANG Jing, SHI Xue-qiang. Effects of hydroxyl on oxidation characteristics of side chain active groups in coal[J]. J China Coal Soc, 2020, 45(1):232-240. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=mtxb202001024 [13] 侯影飞, 蒋驰, 李力军, 刘恩杰, 林朋飞, 牛青山.分子动力学模拟汽油组分在交联乙基纤维素中的扩散行为[J].中国石油大学学报(自然科学版), 2018, 42(1):171-176. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=sydxxb201801022HOU Ying-fei, JIANG Chi, LI Li-jun, LIU En-jie, LIN Peng-fei, NIU Qing-shan. Diffusion behavior of gasoline components in crosslinked ethyl cellulose by molecular dynamics simulation[J]. J China Univ Pet, 2018, 42(1):171-176. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=sydxxb201801022 [14] AGRAWALLA S, VAN DUIN A C T. Development and application of a reaxff reactive force field for hydrogen combustion[J]. J Phys Chem A, 2011, 115(6):960-972. doi: 10.1021/jp108325e [15] ZHANG L, ZYBIN S V, VAN DUIN A C T, DASGUPTA S, GODDARD W A. Carbon cluster formation during thermal decomposition of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine and1, 3, 5-triamino-2, 4, 6-trinitrobenzene high explosives from Reax FF reactive molecular dynamics simulations[J]. J Phys Chem A, 2009, 113(40):10619-10640. doi: 10.1021/jp901353a [16] MONTI S, COROZZI A, FRISTRUP P, JOSHI K L, SHIN Y K, OELSCHLAEGER P, VAN DUIN A C T, BARONE V. Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field[J]. Phys Chem Chem Phys, 2013, 15(36):15062-15077. doi: 10.1039/c3cp51931g [17] SENFTLE T P, HONG S, ISLAM M M, KYLASA S B, ZHENG Y X, SHIN Y K, JUNKERMEIER C, ENGEL-HERBERT R, JANIK M J, AKTULGA H M, VERSTRAELEN T, GRAMA A, VAN DUIN A C T. The ReaxFF reactive force-field:Development, applications and future directions[J]. NPJ Comput Mater, 2016, 2(1):9396-9409. http://www.nature.com/articles/npjcompumats201511 [18] CASTRO-MARCANO F, RUSSO M F, VAN DUIN A C T, MATHEWS J P. Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the Reax FF reactive force field[J]. J Anal Appl Pyrolysis, 2014, 109:79-89. http://www.sciencedirect.com/science/article/pii/S0165237014001703 [19] CASTRO-MARCANO F, KAMAT A M, RUSSO M F, van DUIN A C T, MATHEWS J P. Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the Reax FF reactive force field[J]. Combust Flame, 2011, 159(3):1272-1285. http://www.sciencedirect.com/science/article/pii/S0010218011003270 [20] ZHENG M, LI X X, LIU J, WANG Z, GONG X M, GUO L, SONG W L. Pyrolysis of Liulin coal simulated by GPU-Based ReaxFF MD with cheminformatics analysis[J]. Energy Fuels, 2014, 28(1):522-534. doi: 10.1021/ef402140n [21] ZHENG M, YANG P, WANG Z, LI X X, LI G. Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments[J]. Fuel, 2020:268. https://www.sciencedirect.com/science/article/pii/S0016236120302854 [22] GAO M J, LI X X, GUO L. Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics[J]. Fuel Process Technol, 2018, 178:197-205. doi: 10.1016/j.fuproc.2018.05.011 [23] HONG D K, GUO X. Molecular dynamics simulations of Zhundong coal pyrolysis using reactive force field[J]. Fuel, 2017, 210(1):58-66. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=7feb2160eddc37188510a4435e74b876 [24] HONG D K, LIU L, ZhANG S, GUO X. Effect of cooling rate on the reaction of volatiles from low-rank coal pyrolysis:Molecular dynamics simulations using ReaxFF[J]. Fuel Process Technol, 2018, 178:133-138. doi: 10.1016/j.fuproc.2018.05.033 [25] 周星宇, 曾凡桂, 相建华, 邓小鹏, 相兴华.马脊梁镜煤有机质大分子模型构建及分子模拟[J].化工学报, 2020, 71(4):1802-1811. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202004040ZHOU Xing-yu, ZENG Fan-gui, XIANG Jian-hua, DENG Xiao-peng, XIANG Xing-hua. Macromolecular model construction and molecular simulation of organic matter in Majiliang vitrain[J]. CIESC J, 2020, 71(4):1802-1811. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202004040 [26] 高明杰.府谷次烟煤热解的反应分子动力学模拟[D].北京: 中国科学院大学过程工程研究所, 2019. http://cdmd.cnki.com.cn/Article/CDMD-80041-1019113468.htmGAO Ming-jie. Pyrolysis simulation of Fugu subbituminous coal by reaxFF molecular dynamics[D]. Beijing: Institute of Process Engineering, Chinese Academy of Sciences, 2019. http://cdmd.cnki.com.cn/Article/CDMD-80041-1019113468.htm [27] ZHENG M, LI X X, GUO L. Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics[J]. Fuel, 2018, 233:867-876. doi: 10.1016/j.fuel.2018.06.133 [28] 高宁, 王一超, 刘育红.丙炔基双酚A醚硼聚合物热解过程的ReaxFF分子动力学模拟[J].化工学报, 2015, 66(4):1557-1564. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201504043GAO Ning, WANG Yi-chao, LIU Yu-hong. Molecular dynamics simulations of thermal pyrolysis of novel dipropargyl ether of bisphenol A based boron-containing polymer[J]. CIESC J, 2015, 66(4):1557-1564. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201504043 [29] 袁明, 蔺华林, 李克健.煤结构模型及其研究方法[J].洁净煤技术, 2013, 19(2):42-46. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=jjmjs201302013YUAN Ming, LIN Hua-lin, LI Ke-jian. Coal macromolecular structure models and relevant research methods[J]. Clean Coal Technol, 2013, 19(2):42-46. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=jjmjs201302013 [30] WISER W H, ANDERSON L L, QADER S A, HILL G R. Kinetic relationship of coal hydrogenation, pyrolysis and dissolution[J]. J Chem Technol Biot, 1971, 21(3):82-86. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=10.1002/jctb.5020210306 [31] 郑默.基于GPU的煤热解化学反应分子动力学(ReaxFF MD)模拟[D].北京: 中国科学院大学过程工程研究所, 2015.ZHENG Mo. Coal pyrolysis simulation by GPU-based reactive force field molecular dynamics (ReaxFF MD)[D]. Beijing: Institute of Process Engineering, Chinese Academy of Sciences, 2015. [32] MIURA K, SHIMADA M, MAE K, SOCK H Y. Extraction of coal below 350℃ in flowing non-polar solvent[J]. Fuel, 2001, 80(11):1573-1582. doi: 10.1016/S0016-2361(01)00036-9 [33] GONG X M, WANG Z, LI S G, SONG W L, LIN W G. Coal pyrolysis in a laboratory-scale two-stage reactor:Catalytic upgrading of pyrolytic vapors[J]. Chem Eng Technol, 2014, 37(12). 2135-2142. doi: 10.1002/ceat.201300748 [34] GONG X M, WANG Z, DENG S W, LI S G, SONG W L, LIN W G. Impact of the temperature, pressure, and particle size on tar composition from pyrolysis of three ranks of Chinese coals[J]. Energy Fuels, 2014, 28(8):4942-4948. doi: 10.1021/ef500986h [35] ZHENG M, LI X X, LIU J, GUO L. Initial chemical reaction simulation of coal pyrolysis via ReaxFF molecular dynamics[J]. Energy Fuels, 2013, 27(6):2942-2951. doi: 10.1021/ef400143z [36] DONG T, MURATA S, MIURA M, NOMURA M, NAKAMURA K. Computer-aided molecular design study of coal model molecules. 3. Density simulation for model structures of bituminous Akabira coal[J]. Energy Fuels, 2002, 7(6):1123-1127. doi: 10.1021/ef00042a061 [37] NAKAMURA K, MURATA S, NOMURA M. CAMD study of coal model molecules. 1. Estimation of physical density of coal model molecules[J]. Energy Fuels, 2002, 7(3):347-350. doi: 10.1021/ef00039a002 [38] VAN DUIN A C T, DASGUPTA S, LORANT F, GODDARD W A. ReaxFF:A reactive force field for hydrocarbons[J]. J Phys Chem A, 2001, 105(41):9396-9409. doi: 10.1021/jp004368u [39] 洪迪昆.准东煤热解及富氧燃烧的反应分子动力学研究[D].武汉: 华中科技大学, 2018. http://cdmd.cnki.com.cn/Article/CDMD-10487-1019819200.htmHONG Di-kun. Study on the pyrolysis and oxy-fuel combustion of Zhundong coal using reactive molecular dynamics simulations[D]. Wuhan: Huazhong University of Science and Technology, 2018. http://cdmd.cnki.com.cn/Article/CDMD-10487-1019819200.htm [40] 洪迪昆, 操政, 杨昌敏, 刘亮, 郭欣.钙催化苯酚反应的分子动力学模拟[J].化工学报, 2019, 70(5):1788-1794. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201905014HONG Di-kun, CAO Zheng, YANG Chang-min, LIU Liang, GUO Xin. Catalytic effect of calcium on reaction of phenol using reactive molecular dynamics simulation[J]. CIESC J, 2019, 70(5):1788-1794. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb201905014 [41] ZHENG M, LI X X, WANG M J, GUO L. Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation[J]. Fuel, 2019, 253:910-920. doi: 10.1016/j.fuel.2019.05.085 [42] 洪迪昆, 刘亮, 操政, 杨昌敏, 郭欣.五彩湾煤热解的反应分子动力学研究[J].煤炭学报, 2019, 44(S1):271-277. http://www.cqvip.com/QK/96550X/2019S01/7100718148.htmlHONG Di-kun, LIU Liang, CAO Zheng, YANG Chang-min, GUO Xin. Molecular dynamics simulation of Wucaiwan coal pyrolysis via ReaxFF[J]. J China Coal Soc, 2019, 44(S1):271-277. http://www.cqvip.com/QK/96550X/2019S01/7100718148.html [43] 雷昭, 杨鼎, 张云鹤, 崔平.基于分子模拟技术煤焦分子模型结构[J].燃料化学学报, 2017, 45(7):769-779.LEI Zhao, YANG Ding, ZHANG Yun-He, CUI Ping. Constructions of coal and char molecular models based on the molecular simulation technology[J]. J Fuel Chem Technol, 2017, 45(7):769-779. [44] HUMPHREY W, DALKE A, SCHULTEN K. VMD:visual molecular dynamics[J], J Mol Graphics Modell, 1996, 14:33-38. doi: 10.1016/0263-7855(96)00018-5 [45] SOLOMON P R, FLETCHER T H, PUGMIRE R J. Progress in coal pyrolysis[J]. Fuel, 1993, 72(5):587-597. doi: 10.1016/0016-2361(93)90570-R [46] 王连聪, 梁运涛.煤无氧升温中CO产生及变化规律的光谱分析[J].煤炭学报, 2017, 42(7):1790-1794. http://www.cnki.com.cn/Article/CJFDTotal-MTXB201707019.htmWANG Lian-cong, LIANG Yun-tao. Spectral analysis on laws of generation and variability of CO during oxygen-free programmed temperature of coal[J]. J China Coal Soc, 2017, 42(7):1790-1794. http://www.cnki.com.cn/Article/CJFDTotal-MTXB201707019.htm [47] LIU J X, JIANG X M, SHEN J, ZHANG H. Pyrolysis of superfine pulverized coal. Part 1. Mechanisms of methane formation[J]. Energ Convers Manage, 2014, 87:1027-1038. doi: 10.1016/j.enconman.2014.07.053 [48] DOMAZETIS G, JAMES B D. Molecular models of brown coal containing inorganic species[J]. Org Geochem, 2007, 37(2):244-259. http://www.sciencedirect.com/science/article/pii/S0146638005002111 [49] 毛宁, 王强, 杨妍, 徐敦信, 冯炜, 张金鹏, 白红存, 郭庆杰.基于显微组分化学键特征的宁夏庆华煤热解特性及动力学分析[J].化工学报, 2020, 71(2):811-820+903. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202002038MAO Ning, WANG Qiang, YANG Yan, XU Dun-xin, FENG Wei, ZHANG Jin-peng, BAI Hong-cun, GUO Qing-jie. Pyrolysis characteristics and kinetics analysis of Qinghua coal, Ningxia based on chemical bonding characteristics of macerals[J]. CIESC J, 2020, 71(2):811-820+903. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202002038 [50] 吴洁, 狄佐星, 罗明生, 王亚涛, 丁肖肖, 李洪娟. N2气氛下温度和压力对煤热解的影响[J].化工进展, 2019, 38(S1): 116-121. http://www.cnki.com.cn/Article/CJFDTotal-HGJZ2019S1017.htmWU Jie, DI Zuo-xing, LUO Ming-sheng, WANG Ya-tao, DING Xiao-xiao. Study of the effects of temperature and pressure on the coal pyrolysis in the atmosphere of N2[J]. Chem Ind Eng Prog, 2019, 38(S1): 116-121. http://www.cnki.com.cn/Article/CJFDTotal-HGJZ2019S1017.htm [51] LIU Z T, ZHAN J H, LAI D G, ZUO M H, LIU X X. Effects of different temperature chars on distribution of pyrolysates for Naomaohu coal[J]. J Therm Anal Calorim, 2020. http://www.researchgate.net/publication/342423526_Effects_of_different_temperature_chars_on_distribution_of_pyrolysates_for_Naomaohu_coal [52] 邓一英.平朔煤的热解试验研究[J].洁净煤技术, 2008, 14(2):56-58, 66. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=jjmjs200802015DENG Yi-ying. The pyrolysis experiment study of pingshuo coal[J]. Clean Coal Technology, 2008, 14(2):56-58, 66. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=jjmjs200802015 [53] SOLOMON P R, SERIO M A, SUUBERG E M. Coal pyrolysis:Experiments, kinetic rates and mechanisms[J]. Prog Energy Combust Sci, 1992, 18(2):133-220. doi: 10.1016/0360-1285(92)90021-R -
点击查看大图
图(18) / 表(2)
计量
- 文章访问数: 477
- HTML全文浏览量: 176
- PDF下载量: 60
- 被引次数: 0
