姓名
刘朝
性别
男


所在部门
热流科学系
职称
教授

职务

联系电话


邮箱
liuchao@cqu.edu.cn



*个人简介：
刘朝，工学博士，教授，博士生导师。
中国工程热物理学会理事、中国工程热物理学会热力学分委员会委员、中国高等教育学会工程热物理专业委员会理事、中国工程热物理学报编委、中国人民解放军特殊电源重点实验室学术委员会委员、机械工业环境保护机械标准化技术委员会余热回收利用技术装备分技术委员会委员。
1988年4月毕业留校工作，1997年任重庆大学副教授、2003年后任教授、博士生导师。长期从事热力学理论及工程应用、生物质热解利用、微尺度热现象和工业领域节能减排等的研究和技术工作。负责和参加国家、部省级等科研项目20多项，获教育部科技进步二等奖2项，中国机械工业科学技术三等奖1项。发表论文200余篇,被SCI检索130多篇。获得多项授权的发明专利和实用新型专利。参编国家“九五”重点建设及面向21世纪热工重点教材“工程热力学”（高教出版社出版）及多项余热回收利用方面的中华人民共和国机械行业标准编写。
目前为国家科学技术奖、教育部科技奖和****计划评审专家，国家自然科学基金、江苏、天津、北京、河北、福建、四川和重庆等科技项目评审专家。International Journal of Heat and Mass Transfer, Energy等10多种国际刊物,中国科学、化工学报等国内刊物评审人。
*研究方向：
1．非平衡热力学理论及工程应用
2．微尺度热现象的分子动力学模拟研究
3．工质热物理性质及热稳定性
4．新型储能原理及技术
5．能源的高效利用及节能理论与新方法
6．页岩气开采过程中热物理问题
研究生培养：
培养的研究生，博士毕业12名和硕士毕业50多名。

在研科研项目：
（1）国家自然科学基金项目“硅氧烷工质热稳定性涨落理论及热分解机理研究”，2021年1月—2024年12月，负责人
（2）国家自然科学基金子课题“管输含蜡原油多相体系相变核化及固相沉积微观机理研究”，2019年1月—2021年12月，课题负责人

已结题主要科研项目：
（1）国家自然科学基金项目“微尺度下快速蒸发和凝结现象的分子动力学研究和实验”，2003年1月—2003年12月，负责人
（2）重庆市科委基金项目“小尺度表面快速加热下汽液相变机理的研究”，2001年—2003年，负责人
（3）教育部留学基金项目“微表面快速加热液体相变机理的分子动力学模拟研究”，2002年—2004年，负责人
（4）国家自然科学基金项目“湿空气性质及相变的分子动力学模拟和实验研究”，2004年1月—2006年12月，负责人
（5）重庆市科委基金项目“纤维素热解的实验研究”，2006年—2008年，负责人
（6）国家自然科学基金项目“生物质纤维素热解过程的分子模拟研究”，2008年1月—2010年12月，负责人
（7）教育部博士点基金项目“大气中固体颗粒与水蒸汽分子相互作用的分子动力学模拟研究”，2010年1月—2012年12月,课题负责人
（8）油气藏地质及开发工程国家重点实验室开放研究课题“CO2、H2S、CH4体系相行为特征及测试”，时间:2010.6—2013.6,负责人
（9）国家科技计划973课题“低品位能源利用热力学基础及评价”，课题编号：2011CB710701，2011年1月—2015年12月,课题负责人
（10）国家国际科技合作专项“智慧节能工业园建设关键平台技术与协同驱动”，2016年4月—2019年6月,课题负责人
（11）国家自然科学基金项目“基于分子模拟的HFO工质热稳定性及热分解机理研究”，2016年1月—2019年12月，负责人

*发表论文：
2021年：
1、Lu Zhang, Qibin Li, Chao Liu*，Molecular insight of flow property for gas-water mixture (CO2/CH4-H2O) in shale organic matrix，Fuel 288(2021)119720 ，2021年3月15日
2、张路，刘朝，页岩气中CH4-C2H6吸附-扩散分子动力学研究，工程热物理学报，Vol.42（1）,40-47，2021年1月
3、辛立勇，刘朝，李期斌，霍二光，HFO-1234ze(E)氧化分解机理的ReaxFF模拟研究，工程热物理学报录用
4、Liyong Xin, Chao Liu*, Luxi Tan**, Xiaoxiao Xu, Qibin Li1, Erguang Huo，Kuan Sun，Thermal stability and pyrolysis products of HFO-1234yf as an environment-friendly working fluid for Organic Rankine Cycle，Energy, 228（2021）120564

2020年：
1、Lu Zhang, Chao Liu*, Qibin Li，Molecular simulations of competitive adsorption behavior between CH₄-C₂H₆in K-illite clay at supercritical conditions，Fuel，260（2020）116358
2、Huasheng Chen, Chao Liu*, Xiaoxiao Xu, Lu Zhang，A new model for predicting sulfur solubility in sour gases based on hybrid intelligent algorithm，Fuel，262. (2020) 116550
3、Xiaoxue Chen, Chao Liu*, Qibin Li*, Xurong Wang, Shukun Wang，Dynamic behavior of supercritical organic Rankine cycle using zeotropic mixture working fluids，Energy,191 (2020) 116576
4、Yu Pu, Chao Liu*, Qibin Li**，Xiaoxiao Xu, Erguang Huo, Pyrolysis mechanism of HFO-1234yf with R32 by ReaxFF MD and DFT method，International Journal of Refrigeration, 2020, 109:82-91
5、Zhuang Sun, Chao Liu, and Shukun Wang，Multi-objective decision framework for comprehensive assessment of organic Rankine cycle system，J. Renewable Sustainable Energy 12, 014702 (2020)
6、Lu Zhang, Chao Liu*, Yang Liu**, Qibin Li, Qinglin Cheng, Shouyin Cai，Transport property of methane and ethane in K-illite nanoporous of shale: insights from Molecular Dynamic simulations，Fuel & Energy，Energy Fuels 2020, 34, 1710?1719
7、Erguang Huo, Qibin Li,Chao Liu*, Zhengyong Huang*, Liyong Xin，Experimental and theoretical studies on the thermal stability and decomposition mechanim of HFO-1336mzz(Z) with POE lubricant，Journal of Analytical and Applied Pyrolysis, 147(2020) 104795
8、霍二光，刘朝*，李期斌，王述昆，辛立勇，基于ReaxFF模拟的正戊烷热分解机理研究，工程热物理学报，41（1），2020，61-67
9、陈晓雪，混合工质(R227ea/R245fa)有机朗肯循环的动态特性研究，工程热物理学报，41（7），2020，
10、张路，页岩气中CH₄-C₂H₆吸附-扩散分子动力学研究，工程热物理学报录用
11、Liyong Xin, Chao Liu*, Yang Liu, Erguang Huo, Qibin Li, XurongWang, Qinglin Cheng，Thermal decomposition mechanism of some hydrocarbons by ReaxFF-based molecular dynamics and density functional theory study，Fuel，275(2020) 117885
12、Shukun Wang, Chao Liu*, Qibin Li**, Lang Liu, Erguang Huo, Cheng Zhang，Selection principle of working ?uid for organic Rankine cycle based on environmental bene?ts and economic performance，Applied Thermal Engineering, 178 (2020) 115598
13、Shukun Wang, Chao Liu*, Jie Li, Zhuang Sun, Xiaoxue Chen, Xiaonan Wang，Exergoeconomic analysis of a novel trigeneration system containing supercritical CO2 Brayton cycle, organic Rankine cycle and absorption refrigeration cycle for gas turbine waste heater covery，Energy Conversion and Management，221 (2020) 113064

2019年：
1、Cheng Zhang,Chao Liu*, Xiaoxiao Xu, Qibin Li, Shukun Wang，Energetic, exergetic, economic and environmental (4E) analysis and multi-factor evaluation method of low GWP fluids in trans-critical organic Rankine cycles，Energy，Energy 168 (2019) 332-345。
2、霍二光、刘朝等，HFO-1336mzz(Z)氧化分解机理的DFT研究，工程热物理学报，Vol.40,No.2,2019年2月
3、刘朝，邱舒怿，黄红梅，郭萍，霍二光，吸热型碳氢燃料正辛烷热分解机理研究，材料导报
4、刘亚玲,张诚,刘朝，ORC利用工业锅炉烟气余热发电技术经济性评估，重庆大学学报，42(1),2019, 73-81
5、Chenhuashen,ChaoLiu,etal.,MoleculardynamicsimulationofsulfursolubilityinH₂Ssystem，InternationalJournalofModernPhysicsB,Vol.33,No.0(2019)**
6、Shukun Wang,Chao Liu*, Xiaoxiao Xu, Cheng Zhang，Ecological cumulative exergy consumption analysis of organic Rankine cycle for waste heat power generation，Journal of Cleaner Production 218 (2019) 543-554
7、Erguang Huo,Chao Liu*, Xiaoxiao Xu, Lang Liu, Shukun Wang, Liyong Xin，Dissociation mechanism of HFC-245fa on Cu(1 1 1) surfaces with and without oxygen-covered: A density functional theory study，Applied Surface Science 480 (2019) 487–496
8、Cao, Yu;Liu, Chao; Xu, Xiaoxiao; Huo, Erguang; Pu, Yu，Influence of water on HFO-1234yf oxidation pyrolysis via ReaxFF Molecular Dynamics Simulation，Molecular Physics，https://doi.org/10.1080/**.2019.**
9、Erguang Huo,Chao Liu*, Liyong Xin, Xiaoxiao Li, Xiaoxiao Xu, Qibin Li, Chaobin Dang，Thermal stability and decomposition mechanism of HFO-1336mzz(Z) as an environmental friendly working fluid: experimental and theoretical study，International Journal of Energy Research,2019,43:4630-4643
10、Xiaoxue Chen,Chao Liu, Qibin Li, Xurong Wang, Xiaoxiao Xu, Dynamic analysis and control strategies of Organic Rankine Cycle (ORC) system for waste heat recovery using zeotropic mixture as working fluid，Energy Conversion and Management 192 (2019) 321–334
11、Jie Wu, Chao Liu, Xiaoxiao Xu, Qinbin Li, Xiaoxiao Li, Thermal degradation behavior of pectin in Citrus wastes with density functional theory study, Waste Management, 89 (2019) 408–417
12、Zhuang Sun、Chao Liu、Xiaoxiao Xu、Qibin Li、Xurong Wang、Shukun Wang、Xiaoxue Chen，Comparative carbon and water footprint analysis and optimization of Organic Rankine Cycle，ATE, Volume 158, 25 July 2019, 113769。
13、Erguang Huo，Chao Liu, The oxidation decomposition mechanisms of HFO-1336mzz(Z) as an environmentally friendly refrigerant in O2/H2O environment, Energy 185 (2019) 1154-1162
14、Jie Wu, Chao Liu, Qinbin Li，Thermal decomposition mechanism of O-acetyl-4-O-methylglucurono-xylan，Journal of Molecular Modeling，(2019) 25:234
15、Chao Liu, Shukun Wang, Cheng Zhang, Qibin Li, Xiaoxiao Xu, Erguang Huo，Experimental study of micro-scale organic Rankine cycle system based on scroll expander，energy, Energy 188 (2019) 115930
16、Shukun Wang, Chao Liu*, Jingzheng Ren,**, Lang Liu, Qibin Li, Erguang Huo，Carbon footprint analysis of organic Rankine cycle system using zeotropic mixtures considering leak of fluid，Journal of Cleaner Production 239 (2019) 118095

2018年：
1、Yang Ding, Chao Liu，Cheng Zhang, Xiaoxiao Xu, Qibin Li, Lianfei Mao, Exergoenvironmental model of Organic Rankine Cycle system including the manufacture and leakage of working fluid, Energy, 145(2018), 52-64
2、张力元，刘朝等，HFO-1216工质热分解机理研究，2018年5月第32卷专辑31，“纳米与新材料专辑“，材料导报，522-528
3、Erguang Huo，Chao Liu,Xiaoxiao Xu, Qibin Li, Dissociation mechanisms of HFO-1336mzz(Z) on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces: A density functional theory study，Applied Surface Science 443 (2018) 389–400
4、刘亚玲,张诚,邹益平,陈娟,刘朝，利用有机朗肯循环系统回收30t/h燃煤锅炉烟气余热的热经济性评估，重庆大学学报，41(3),2018, 91-99
5、Shukun Wang,Chao Liu, Cheng Zhang, Xiaoxiao Xu, Thermodynamic evaluation of leak phenomenon in liquid receiver of ORC systems,Applied Thermal Engineering 141 (2018) 1110–1119
6、Erguang Huo, Chao Liu, Xiaoxiao Xu, Qibin Li, Chaobin Dang，A ReaxFF-based molecular dynamics study of the oxidation decomposition mechanism of HFO-1336mzz(Z)，International Journal of Refrigeration录用
7、Cheng Zhang, Chao Liu,Xiaoxiao Xu, Qibin Li, Shukun Wanga, Xi Chen，Effects of superheat and internal heat exchanger on thermo-economic performance of organic Rankine cycle based on fluid type and heat sources，Energy 159 (2018) 482-495
8、Yayun Zhang, Hanwu Lei，Dengle Duan, Elmar Villota, Chao Liu, and Roger Ruan，New Insight into the Mechanism of the Hydrogen Evolution Reaction on MoP(001) from First Principles，ACS Appl. Mater. Interfaces 2018, 10, 20429?20439，DOI: 10.1021/acsami.8b03976
9、Shukun Wang, Chao Liu, Cheng Zhang, Xiaoxiao Xu, and Qibin Li，Thermo-economic evaluations of dual pressure organic Rankine cycle (DPORC) driven by geothermal heat source，JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY，10, 063901 (2018)

2017年：
1、Yayun zhang; chao liu; feng hao; hang xiao; shiwei zhang; xi chen，CO₂Adsorption and Separation from Natural Gas on Phosphorene Surface: Combining DFT and GCMC calculations，Applied Surface Science，397 (2017) 206–212
2、Hao Zhang，Chao Liu, XX, Xu, QB,Li, Mechanism of Thermal Decomposition of HFO-1234yf by DFT Study，International Journal of Refrigeration，2017，74, 397–409
3、张浩、刘朝，HFO-1234ze(Z)热解机理的DFT研究，工程热物理学报，2017，9期
4、Cheng Zhang，Chao Liu, Thermo-economic comparison of subcritical organic Rankine cycle based on different heat exchanger configurations，10.1016/j.energy.2017.01.132，Energy 123 (2017) 728-741
5、Erguang Huo, Chao Liu, Xiaoxiao Xu, Chaobin Dang，A ReaxFF-based molecular dynamics study of the pyrolysis mechanism of HFO-1336mzz(Z)，International Journal of Refrigeration，83 (2017)，118–130
6、Yu Cao, Chao Liu, Hao Zhang, Xiaoxiao Xu, Qibin Li，Thermal decomposition of HFO-1234yf through ReaxFF molecular dynamics simulation，Applied Thermal Engineering，126 (2017)，330–338
7、Zeyu Li, Chao Liu, Xiaoxiao Xu, Qibin Li，A theoretical study on the mechanism of xylobiose during pyrolysis process，Computational and Theoretical Chemistry，1117，(2017) 130–140
8、Mei Yang, Chao Liu，The calculation of fluorine plastic economizer in economy by using the equivalent heat drop，ENERGY，135，2017，

2016年：
1、Meng Wang, Chao Liu, Xiaoxiao Xu, Qibin Li，Theoretical investigation on the carbons sources and orientations of the aldehyde group of furfural in the pyrolysis of glucose，Journal of Analytical and Applied Pyrolysis，117 (2016) 325–333
2、Chao Liu, Xi Wang, Hong Gao, Cheng Zhang, Chao He，The injector-based regenerative supercritical organic Rankine cycle，Journal of Mechanical Science and Technology，2016，Journal of Mechanical Science and Technology 30 (5) (2016) 2353~2360
3、Yayun Zhang, Chao Liu, Xi Chen，Mechanism of glucose conversion in supercritical water by DFT study，Journal of Analytical and Applied Pyrolysis，119 (2016) 199–207
4、Guangping Lei, Chao Liu, Qibin Li, Xiaoxiao Xu，Graphyne nanostructure as a potential adsorbent for separation of H₂S/CH₄mixture: Combining grand canonical Monte Carlo simulations with ideal adsorbed solution theory，Fuel，182 (2016) 210–21
5、Meng Wang, Chao Liu, Xiaoxiao Xu, Qibin Li，Theoretical study of the pyrolysis of vanillin as a model of secondary lignin pyrolysis，Chemical Physics Letters，654 (2016) 41–45
6、Meng Wang, Chao Liu, Xiaoxiao Xu, Qibin Li，Theoretical investigation on the carbon sources and orientations of the aldehyde group of furfural in the pyrolysis of glucose，doi:10.1016/j.jaap.2016.06.019，Journal of Analytical and Applied Pyrolysis，120 (2016) 464–473。
7、Yayun Zhang，Feng Hao，Chao Liu，Xi Chen，Band gap and oxygen vacancy diffusion of anatase (101) surface: the effect of strain，Theor Chem Acc (2016) 135:171
8、Yayun zhang; Feng Hao; Hang Xiao; Chao Liu; Xiaoyang Shi; Xi Chen，Hydrogen Separation by Porous Phosphorene: A Periodical DFT Study，International Journal of Hydrogen Energy，41 (2016)，23067-23074

2015年:
1.李茂祥；刘朝；雷广平；宋粉红, H₂S在水溶液中溶解度的分子动力学研究,工程热物理学报, 2015年01期
2. Huang Daiyue, Liu Chao*, Gilles Puel，Spatial Environmental Balance to Information and Communication Technology products in different regions of China by using LCA，Journal of Cleaner Production 91 (2015) 128-135
3、雷广平、刘朝*、解辉，石墨烯/纳米管复合结构吸附分离CO2/CH4混合物的分子模拟，Acta Phys. -Chim. Sin. 2015, 31 (4), 660-666
4、李期斌、刘朝，高压下Ｉ型甲院水合物导热机理的分子动力学模拟，工程热物理学报, 2015年，36卷4期，
5、Meng Wang，Chao Liu，Qibin Li，Xiaoxiao Xu，Theoretical insight into the conversion of xylose to furfural in the gas phase and water，J Mol Model (2015) 21:296
6、Yayun Zhang, Chao Liu?, Xi Chen，Unveiling the initial pyrolytic mechanisms of cellulose by DFT study，Journal of Analytical and Applied Pyrolysis，113 (2015) 621–629

2014年:
1.刘文广;解辉;刘朝, Claus硫磺回收装置再热炉流动燃烧模拟研究,石油与天然气化工, 2014年06期
2. He, Chao; Liu, Chao; Gao, Hong; The net power output of ideal supercritical organic Rankine cycle with different flow arrangement evaporators, JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY, 6(3), 033117, 2014
3. Zhang, Yayun; Liu, Chao, A new horizon on effects of alkalis metal ions during biomass pyrolysis based on density function theory study, JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 110: 297-304, 2014
4. Lei, Guangping; Liu, Chao; Xie, Hui, Removal of hydrogen sulfide from natural gas by the graphene-nanotube hybrid structure: A molecular simulation, CHEMICAL PHYSICS LETTERS, 616: 232-236, 2014
5. Jianli Wang, Chao Liu, Preparation of Fe-Doped TiO2 Nanotube Arrays and Their Room-Temperature Ferromagnetic Properties, Journal of Nanoscience and Nanotechnology,Vol. 14, 1–6, 2014
6、雷广平；刘朝；解辉，H2S/CH4混合物在石墨烯表面吸附性能的分子动力学模拟，工程热物理学报，2014年35(3)
7、Chao He, Chao Liu，A new selection principle of working fluids for subcritical organic Rankine cycle coupling with different heat sources，Energy 68 (2014) 283-291
8、Guangping Lei, Chao Liu，Separation of the hydrogen sulfide and methane mixture by the porous graphene membrane: Effect of the charges，Chemical Physics Letters 599 (2014) 127–132
9、F. H. Song, B. Q. Li and C. Liu，Molecular Dynamics Simulation of the Electrically Induced Spreading of an Ionically Conducting Water Droplet，Langmuir 2014, 30, 2394?2400
10、Qibin LI, Chao LIU and Xi CHEN，Molecular Characteristics of Dissociated Water With Memory Effect From Methane Hydrates，International Journal of Modern Physics B，Vol. 28, No. 10 (2014) **
11、Qibin Li, Chao Liu，Molecular dynamics simulation of sulphur nucleation in S–H2S system，Molecular Physics, 2014，Vol. 112, No. 7, 947–955
12、Chao Liu, Yayun Zhang，Study of guaiacol pyrolysis mechanism based on density function theory，Fuel Processing Technology，123 (2014) 159–165
13、Yayun Zhang, Chao Liu?, Hui Xie, Mechanism studies on -d-glucopyranose pyrolysis by density functional theory methods，Journal of Analytical and Applied Pyrolysis 105 (2014) 23–34
14、Jiacheng He, Chao Liu，Performance research on modified KCS (Kalina cycle system) 11 without throttle valve，Energy 64 (2014) 389-397


2013年
1．Chao Liu, Chao He, Hong Gao, Hui Xie, Yourong Li, Shuangying Wu, Jinliang Xu，The environmental impact of organic Rankine cycle for waste heat recovery through life-cycle assessment，Energy 56 (2013) 144-154
2．Zhang, Zhi; Liu, Chao; Li, Qi-Bin，Prediction of Thermophysical Properties of Methane Based on Molecular Dynamics Simulations，ASIAN JOURNAL OF CHEMISTRY，25（2），653-656，2013
3．F. H. Song, B. Q. Li, and C. Liu, Molecular Dynamics Simulation of Nanosized Water Droplet Spreading in an Electric Field, Langmuir 2013，29（13），4266-4274
4.SONG Fen-Hong, LIU Chao, ZHOU Xuan, Molecular Dynamics Simulation of Heterogeneous Nucleation of Argon Vapor onto a Spherical Solid Particle, Acta Phys. -Chim. Sin. 2013, 29 (4), 715-722
5．Zhi Zhang, Qibin Li, Chao Liu, Solubility of CO2 in Cryogenic Methane: Molecular Dynamics Study, ASIAN JOURNAL OF CHEMISTRY, Vol. 25, No. 16 (2013), 8987-8990
6.宋粉红，刘朝，刘娟芳,水蒸气在固体颗粒上异质核化的分子动力学研究,工程热物理学报,34（10），2013

2012年：
1．Hui, Xie; Chao, Liu，Molecular dynamics simulations of gas flow in nanochannel with a Janus interface，AIP ADVANCES，2（4），042126 (2012)
2．Li, Qibin; Liu, Chao，Molecular dynamics simulation of heat transfer with effects of fluid-lattice interactions，INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER，55:（25-26），8088-8092，2012
3．Gao, Hong; Liu, Chao; He, Chao，Performance Analysis and Working Fluid Selection of a Supercritical Organic Rankine Cycle for Low Grade Waste Heat Recovery，ENERGIES，5（9），3233-3247，2012
4．Liu, Chao; He, Chao; Gao, Hong; The Optimal Evaporation Temperature of Subcritical ORC Based on Second Law Efficiency for Waste Heat Recovery，ENTROPY，14（3）491-504，2012
5．He, Chao; Liu, Chao; Gao, Hong，The optimal evaporation temperature and working fluids for subcritical organic Rankine cycle，ENERGY，38（1），136-143，2012

2011年：
1．Huang, Xiaolu; Liu, Chao; Huang, Jinbao; Theory studies on pyrolysis mechanism of phenethyl phenyl ether，COMPUTATIONAL AND THEORETICAL CHEMISTRY，976（1-3），51-59，2011
2．Zhang Zhi; Liu Chao; Li Haojie; Theoretical Studies of Pyrolysis Mechanism of Xylan Monomer，ACTA CHIMICA SINICA，69（18），2099-2107，2011
3．Xie, Hui; Liu, Chao, EFFECTS OF HYDROPHOBIC SURFACE NANOBUBBLES ON THE FLOW IN NANOCHANNELS, MODERN PHYSICS LETTERS B, 25(10), 773-780, 2011
4．Liu, Chao; Huang, Jinbao; Huang, Xiaolu; Theoretical studies on formation mechanisms of CO and CO2 in cellulose pyrolysis, COMPUTATIONAL AND THEORETICAL CHEMISTRY,964(1-3),207-212,2011
2010年：
5. Huang, Jinbao; Liu, Chao; Wei, Shunan; Density functional theory studies on pyrolysis mechanism of beta-D-glucopyranose, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 958(1-3), 64-70,2010
6.Huang Jinbao; Liu Chao; Wei Shunan; Density Functional Theory Study on the Dehydration Mechanism of Glycerine, ACTA CHIMICA SINICA,68(11), 1043-1049, 2010

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