Citation: | WANG Qing, CHENG Feng, PAN Shuo. Molecular dynamics-quantum model simulation of pyrolysis reactivity of kerogen in oil shale from Fushun[J]. Journal of Fuel Chemistry and Technology, 2018, 46(8): 905-917. |
[1] |
战金辉, 赖登国, 许光文.油页岩:固体石油[J].科学世界, 2016, (12):68-73. http://www.bookask.com/book/1793020.html
ZHAN Jin-hui, LAI Deng-guo, XU Guang-wen. Oil shale:Solid petroleum[J]. Sci World, 2016, (12):68-73. http://www.bookask.com/book/1793020.html
|
[2] |
朱煜凯, 张宇哲.国外油页岩资源的利用分析[J].化工设计通讯, 2016, 42(1):152-152. http://www.cnki.com.cn/Article/CJFDTOTAL-SYZW201403005.htm
ZHU Yu-kai, ZHANG Yu-zhe. Analysis of utilization of foreign oil shale resources[J]. Chem Des Commun, 2016, 42(1):152-152. http://www.cnki.com.cn/Article/CJFDTOTAL-SYZW201403005.htm
|
[3] |
王忠鑫, 赵丹丹.油页岩资源开发潜力评价研究与实践[J].露天采矿技术, 2016, 31(5):83-87. http://www.cqvip.com/QK/98598X/201605/668892401.html
WANG Zhong-xin, ZHAO Dan-dan. Research and practice of oil shale resource development potential evaluation[J]. Ope Min Technol, 2016, 31(5):83-87. http://www.cqvip.com/QK/98598X/201605/668892401.html
|
[4] |
王擎, 许祥成, 迟铭书, 张宏喜, 崔达, 柏静儒.干酪根组成结构及其热解生油特性的红外光谱研究[J].燃料化学学报, 2015, 43(10):1158-1166. doi: 10.3969/j.issn.0253-2409.2015.10.002
WANG Qing, XU Xiang-cheng, CHI Ming-shu, ZHANG Hong-xi, CUI Da, BAI Jing-ru. FT-IR study on composition of oil shale kerogen and its pyrolysis oil generation characteristics[J]. J Fuel Chem Technol, 2015, 43(10):1158-1166. doi: 10.3969/j.issn.0253-2409.2015.10.002
|
[5] |
王越, 高燕, 白向飞, 武琳琳.桦甸油页岩有机岩相特征及其富集特性[J].燃料化学学报, 2016, 44(3):321-327. http://manu60.magtech.com.cn/rlhxxb/CN/abstract/abstract18796.shtml
WANG Yu, GAO Yan, BAI Xiang-fei, WU Lin-lin. Characteristics and enrichment characteristics of organic lithofacies of huadian oil shale[J]. J Fuel Chem Technol, 2016, 44(3):321-327. http://manu60.magtech.com.cn/rlhxxb/CN/abstract/abstract18796.shtml
|
[6] |
KUMAR R, BANSAL V, BADHE R M, MADHIRA I S S, SUGUMARAN V, AHMED S, CHRISTOPHER J, PATEL M B, BASU B. Characterization of Indian origin oil shale using advanced analytical techniques[J]. Fuel, 2013, 113:610-616. doi: 10.1016/j.fuel.2013.05.055
|
[7] |
LⅡV S, KAASIK M. Trace metals in mosses in the estonian oil shale processing region[J]. J Atmos Chem, 2004, 49(1):563-578.
|
[8] |
ZHOU B, SHI L, LIU Q, LIU Z. Examination of structural models and bonding characteristics of coals[J]. Fuel, 2016, 184:799-807. doi: 10.1016/j.fuel.2016.07.081
|
[9] |
RU X, CHENG Z Q, SONG L H, WANG H Y, LI J F. Experimental and computational studies on the average molecular structure of Chinese Huadian oil shale kerogen[J]. J Mol Struct, 2012, 1030(4):10-18.
|
[10] |
王擎, 黄宗越, 迟铭书, 石聚欣, 王智超, 隋义.油页岩干酪根化学结构特性分析[J].化工学报, 2015, 66(5):1861-1866. http://www.cqvip.com/QK/92960X/201304/46812833.html
WANG Qing, HUANG Zong-yue, CHI Ming-shu, SHI Ju-yi, WANG Zhi-chao, SUI Yi. Analysis of chemical structure of oil shale kerogen[J]. CIESC J, 2015, 66(5):1861-1866. http://www.cqvip.com/QK/92960X/201304/46812833.html
|
[11] |
GUAN X H, LIU Y, WANG D, WANG Q, CHI M S, LIU S, LIU C G. Three-dimensional structure of huadian oil shale kerogen model:An experimental and theoretical study[J]. Energy Fuels, 2015, 29(7):4122-4136. doi: 10.1021/ef502759q
|
[12] |
FAULON J L, VANDENBROUCKE M, DRAPPIER J M, BEHAR F, ROMERO M. 3D chemical model for geological macromolecules[J]. Org Geochem, 1990, 16(4):981-993.
|
[13] |
ORENDT A M, PIMIENTA S O, BADU S R, SOLUM M S, PUGMIRE R J, FACELLI J C. Three-dimensional structure of the siskin green river oil shale kerogen model:A comparison between calculated and observed properties[J]. Energy Fuels, 2013, 27(2):702-710. doi: 10.1021/ef3017046
|
[14] |
COLLELL J, UNGERER P, GALLIERO G, YIANNOURAKOU M, MONTEL F, PUJOL M. Molecular simulation of bulk organic matter in type Ⅱ shales in the middle of the oil formation window[J]. Energy Fuels, 2014, 28(12):7457-7466. doi: 10.1021/ef5021632
|
[15] |
COLLELL J, GALLIERO G, VERMOREL R, UNGERER P, YIANNOURAKOU M, MONTEL F, PUJOL M. Transport of multicomponent hydrocarbon mixtures in shales organic matter by molecular simulations[J]. J Phys Chem C, 2015, 119(39):22587-22595. doi: 10.1021/acs.jpcc.5b07242
|
[16] |
UNGERER P, COLLELL J, YIANNOURAKOU M. Molecular modeling of the volumetric and thermodynamic properties of kerogen:In fluence of organic type and maturity[J]. Energy Fuels, 2015, 29(1):91-105. doi: 10.1021/ef502154k
|
[17] |
GAO Y, ZOU Y R, LIANG T, PENG P. Jump in the structure of Type Ⅰ kerogen revealed from pyrolysis and 13C DP MAS NMR[J]. Org Geochem, 2017, 112:105-118. doi: 10.1016/j.orggeochem.2017.07.004
|
[18] |
王擎, 程枫, 潘朔.油页岩干酪根化学键浓度与能量密度研究[J].燃料化学学报, 2017, 45(10):1209-1218. doi: 10.3969/j.issn.0253-2409.2017.10.008
WANG Qing, CHENG Feng, PAN Shuo. Study on chemical bond concentration and energy density of oil shale kerogen[J]. J Fuel Chem Techol, 2017, 45(10):1209-1218. doi: 10.3969/j.issn.0253-2409.2017.10.008
|
[19] |
ZHANG Z, JAMILI A. Modeling the Kerogen 3D Molecular Structure[C]//SPE/CSUR Unconventional Resources Conference. 2015.
|
[20] |
马延平. 柳林3#煤的超分子构建及分子模拟[D]. 太原: 太原理工大学, 2012.
MA Yan-ping. The supramolecular construction and molecular simulation of Liulin 3# coal[D]. Taiyuan: Taiyuan University of Technology, 2012.
|
[21] |
张世良, 戚力, 高伟, 冯士东, 刘日平.分子模拟中常用的结构分析与表征方法综述[J].燕山大学学报, 2015, 39(3):213-220. http://staff.ustc.edu.cn/~zyli/download/ESTC.pdf
ZHANG Shi-liang, WEI Li, GAO Wei, FENG Shi-dong, LIU Ri-ping. A Summary of structural analysis and characterization methods commonly used in molecular simulation[J]. J Yanshan Univ, 2015, 39(3):213-220. http://staff.ustc.edu.cn/~zyli/download/ESTC.pdf
|
[22] |
GUAN X H, WANG D, WANG Q, CHI M S, LIU C G. Estimation of various chemical bond dissociation enthalpies of large-sized kerogen molecules using DFT methods[J]. Mol Phys, 2016, 114(11):1705-1755. doi: 10.1080/00268976.2016.1143983
|
[23] |
WANG Q, LIU Q, WANG Z C, LIU H P, BAI J R, YE J B. Characterization of organic nitrogen and sulfur in the oil shale kerogens[J]. Fuel Process Technol, 2017, 160:170-177. doi: 10.1016/j.fuproc.2017.02.031
|
[24] |
王擎, 张岩, 迟铭书.干酪根热解过程中的热解特性分析[J].石油学报(石油加工), 2017, 33(3):507-514. https://www.researchgate.net/profile/Ansong_Geng/publication/281350986_The_effects_of_minerals_and_water_on_hydrocarbon_generation_from_kerogen_III_Steranes_and_triterpane_generation_and_maturation/links/56b01d2d08ae9ea7c3adb2e9.pdf?origin=publication_detail
WANG Qing, ZHANG Yan, CHI Ming-shu. Analysis of pyrolysis characteristics in pyrolysis of kerogen[J]. Acta Pet Sin(Pet Process Sect), 2017, 33(3):507-514. https://www.researchgate.net/profile/Ansong_Geng/publication/281350986_The_effects_of_minerals_and_water_on_hydrocarbon_generation_from_kerogen_III_Steranes_and_triterpane_generation_and_maturation/links/56b01d2d08ae9ea7c3adb2e9.pdf?origin=publication_detail
|
[25] |
李慧莉, 邱楠生, 金之钧, 何治亮, 朱映康.利用干酪根自由基浓度反演碳酸盐岩地层热历史[J].石油与天然气地质, 2005, 26(3):337-343. doi: 10.11743/ogg20050312
LI Hui-li, QIU Nan-sheng, JIN Zhi-jun, HE Zhi-liang, ZHU Ying-kang. Inversion of thermal history of carbonate formation using kerogen radical concentration[J]. Oil Gas Geol, 2005, 26(3):337-343. doi: 10.11743/ogg20050312
|