[1]  Tingyu Xiao, Chao Liu*, Xurong Wang, Shukun Wang, Xiaoxiao Xu, Qibin Li, Xiaoxiao Li,  Life cycle assessment of the solar thermal power plant integrated with air-cooled supercritical CO2 Brayton cycle，Renewable Energy，2022,182:119-133

[2]  Lu Zhang, Chao Liu*, Qibin Li, Shukun Wang, Shouyin Cai, Erguang Huo，Shale gas transport through the inorganic cylindrical and conical nanopores: A density gradient driven molecular dynamics，International Journal of Heat and Mass Transfer，2022,183: 122126，

[1] Cai D, Xu X*, Zhang S, et al. Experimental investigation on the flow instability of supercritical CO2 in vertical upward circular tube in trans-critical CO2 Rankine system[J]. Applied Thermal Engineering, 2021, 183.

[2] J. Yuan, C. Wu*, X. Xu, C. Liu. Proposal and thermoeconomic analysis of a novel combined cooling and power system using carbon dioxide as the working fluid. Energy Conversion and Management. 227 (2021) 113566.

[3] C. Wu*, X. Xu, Q. Li, X. Li, L. Liu, C. Liu. Performance assessment and optimization of a novel geothermal combined cooling and power system integrating an organic flash cycle with an ammonia-water absorption refrigeration cycle. Energy Conversion and Management. 227 (2021) 113562.

[4] Xinxin Deng, Yitian Xiao, Qibin Li*, Chao He, Shukun Wang*. Evaporation of R1234yf, R1234ze(E) and R1234ze(Z) on Cu surface: A molecular dynamics study. Journal of Molecular Liquids, 2021, 344: 117844.

[5] Qibin Li*, Jinchen Cao, Yang Liu, Qinglin Cheng, Chao Liu. Effect of dispersed water on the paraffin crystallization and deposition of emulsified waxy crude oil via dissipative particle dynamics. Journal of Molecular Liquids, 2021, 343: 117679.

[6] Shukun Wang, Lu Zhang, Chao Liu, Zuming Liu, Song Lan, Qibin Li*, Xiaonan Wang*. Techno-economic-environmental evaluation of a combined cooling heating and power system for gas turbine waste heat recovery. Energy, 2021, 231: 120956.

[7] Qibin Li*, Xinxin Deng, Yang Liu*, Qinglin Cheng, Chao Liu. Gelation of waxy crude oil system with ethylene-vinyl acetate on solid surface: A molecular dynamics study. Journal of Molecular Liquids, 2021, 331: 115816.

[8] Guangping Lei, Qibin Li*, Hantao Liu*, Yayun Zhang. Selective adsorption of CO2 by Hex-star phosphorene from natural gas: Combining molecular simulation and real adsorbed solution theory. Chemical Engineering Science, 2021, 231: 116283.

[9] Zuohang Tang, Chuang Wu*, Chao Liu, Xiaoxiao Xu, Jiangyan Liu. Thermodynamic analysis and comparison of a novel dual-ejector based organic flash combined power and refrigeration cycle driven by the low-grade heat source. Energy Conversion and Management, 2021, 239: 114205.

[10] Jiajia Yuan, Chuang Wu*, Xiaoxiao Xu, Chao Liu. Multi-mode analysis and comparison of four different carbon dioxide-based combined cooling and power cycles for the distributed energy system. Energy Conversion and Management, 2021, 244: 114476.

[11] J. Song, C. Liu and Lang Liu*, Interfacial resistance of gas transport through rigid and flexible zeolites, Separation and Purification Technololgy, 278, 2021, 119529

[12] Xuechao Gao, Zhi Li, Cheng Chen, Chao Da, Lang Liu*, Sen Tian, Guozhao Ji, The Determination of Pore Shape and Interfacial Barrier of Entry for Light Gases Transport in Amorphous TEOS-Derived Silica: A Finite Element Method, ACS Applied Materials & Interfaces, 13, 2021,4804-4812.

[13] Zhizhong Lin, Lang Liu*, Chao Liu and Yang Liu, Optimal Performance of Nanoporous Carbons on Adsorptive Separation of CO2 from Flue Gas, Energy & Fuels，35, 2021 ,8086-8080

[14] Zhizhong Lin, Lang Liu*, Chao Liu and Xuechao Gao, Adsorptive separation of Xe/Kr using nanoporous carbons in the presence of I2 and CH3I, Separation and Purification Technology, 275, 2021, 119161

[15] Jiasheng Song, Lang Liu*, Qibin Li, ChaoLiu and Fenhong Song, Entrance resistance of water transport into carbon nanotubes: Insights from molecular dynamics simulations, Journal of Molecular Liquids, 331,2021,115739 

[16] Qin Wang, Lang Liu*, Chao Liu and Xuechao Gao, Size Effect in Determining the Water Diffusion Rate in Carbon Nanotubes, Journal of Molecular Liquids, 334, 2021,116034

[17] Qin Wang, Lang Liu*, Chao Liu and Yang Liu, Exchange Dynamics of Molecules at the Fluid-Solid Interface Determining the Diffusion Rate in Nanopores, Journal of Molecular Liquids, 335,2021 ,116030

[18]. Liu Y, Zheng X*, Li Q*, Modeling heat capacity of liquid hydrofluorocarbons and hydrofluoroolefins[J]. Journal of Molecular liquids, 2021, 05246

[19]. Zheng X, Qu D, Bao YQ, Qin GZ, Liu Y*, Luo QL. Experimental Studies of Thermal Conductivity of Three Biodiesel Compounds: Methyl Pentanoate, Methyl Octanoate, and Methyl Decanoate[J] Journal of Chemical and Engineering data.2021,

[20].  Zheng X, Bao YQ, Qu D, Wu J, Qin GZ*,  Liu Y*. Thermal Conductivity Measurements for Long-Chain n-Alkanes at Evaluated Temperature and Pressure: n-Dodecane and n-Tetradecane[J]. The Journal of Chemical Thermodynamics. 2021, 162, 106566. 

[21]  Zheng X, Qu D, Zhang F, Liu Y*, Qin G*. Measurements and calculations of thermal conductivity for liquid n-octane and n-decane[J]. Fluid Phase Equilibria, 2021, 533: 112940.

[22].  Zheng X, Bao Y, Qu D, Liu Y*, Qin G*. Measurement and modeling of thermal conductivity for short chain methyl esters: Methyl butyrate and methyl caproate[J]. The Journal of Chemical Thermodynamics, 2021, 159: 106486. 

[23] Dongnan Cai, Xiaoxiao Xu*, Shijie Zhang, Chao Liu, Chaobin Dang. Experimental investigation on the flow instability of supercritical CO2 in vertical upward circular tube in trans-critical CO2 Rankine system. Applied Thermal Engineering, 2021, 183:116139. 

[24] Lu Zhang, Qibin Li, Chao Liu*，Molecular insight of flow property for gas-water mixture (CO2/CH4-H2O) in shale organic matrix，Fuel, 2021, 288: 119720

[25] Liyong Xin, Chao Liu*, Luxi Tan**, Xiaoxiao Xu, Qibin Li, Erguang Huo，Kuan Sun，Thermal stability and pyrolysis products of HFO-1234yf as an environment-friendly working fluid for Organic Rankine Cycle，Energy, 2021, 228: 120564

[26] Liyong Xin, Chao Liu*, Qibin Li，Erguang Huo，Thermal decomposition mechanism of environment-friendly mixture refrigerant by theoretical study，2nd IIR Conference on HFOs and Low GWP Blends, PAPER ID: 1048，Japan Society of Refrigerating and Air Conditioning,  June 16-18,2021, Japan, Osaka

[27] Liyong Xin, Chao Liu*, Xiaoli Li, Qibin Li, Erguang Huo, Wei Yu，Catalytic mechanism of Cu (111) surface on the pyrolysis of HFO-1234yf: A density functional study，Paper ID 197,13th International Conference on Applied Energy,  November 29 - December 2, 2021,Thailand

[28] 蔡守银, 李期斌*, 刘朝, 徐肖肖, 张路. 润滑油对 R1234yf 蒸发沸腾影响的分子动力学研究. 工程热物理学报, 2021, 42(11): 2796-2803.

[29]邓欣欣,杨利,吴闯,刘朝. R32/R1234ze(E)界面冷凝的分子动力学研究, 西安交通大学学报,2022(03):1-7.

[30] 林志忠，刘浪*，刘朝，碳纳米管吸附分离CO2/N2混合物的分子模拟研究，工程热物理学报. 2021，42,1369-1377。

[31] 宋佳胜，刘浪*，刘朝，CNT界面的水分子动力学特性研究，工程热物理学报. 2021，42. 1645-1650. 

[32]张路，刘朝*，蔡守银，李期斌，页岩气中CH4-C2H6吸附-扩散分子动力学研究，工程热物理学报，2021,42(1):40-47

[33]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，2021,42（11）:2780-2786

[1] 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.

[2] Xiaoxue Chen, Chao Liu*, Qibin Li*, Xurong Wang, Shukun Wang. Dynamic behavior of supercritical organic Rankine cycle using zeotropic mixture working fluids. Energy, 2020, 191: 116576.

[3] Shouyin Cai, Qibin Li*, Chao Liu, Xiangyang Liu*. The adsorption of hydrogen sulfide in calcite pores: A molecular simulation study. Journal of Molecular Liquids, 2020, 299: 112253.

[4] Shouyin Cai, Qibin Li*, Chao Liu, Yingjie Zhou*. Evaporation of R32/R152a mixtures on the Pt surface: A molecular dynamics study. International Journal of Refrigeration, 2020,113: 156-163.

[5] Shouyin Cai, Qibin Li*, Maoxiang Li, Chao Liu. Molecular characteristics of [BMIM][BF4] ionic liquids and water mixtures on the Pt surface. Journal of Molecular Liquids, 2020, 304: 112782.

[6] Ye Hong, Yingjie Zhou*, Qibin Li*, Wenzheng Xu, Xiujuan Zheng. A deep learning method for short-term residential load forecasting in smart grid. IEEE Access, 2020, 8: 55785-55797.

[7] Shukun Wang, Chao Liu*, Qibin Li*, Lang Liu, Erguang Huo, Cheng Zhang. Selection principle of working fluid for organic Rankine cycle based on environmental benefits and economic performance. Applied Thermal Engineering, 2020, 178: 115598.

[8] Shouyin Cai, Qibin Li*, Chao Liu, Lu Zhang. Evaporation of Ar/Kr mixtures on platinum surface: A molecular dynamics study. Physical Chemistry Chemical Physics, 2020, 22(28): 16157-16164.

[9] Xiangyang Liu, Tao Wang, Jianchun Chu, Maogang He*, Qibin Li*, Ying Zhang. Understanding lignin gasification in supercritical water using reactive molecular dynamics simulations. Renewable Energy, 2020, 161: 858-866.

[10] Shouyin Cai, Qibin Li*, Wenjie Li, Lu Zhang, Xiangyang Liu*. Effects of mole fraction and surface wettability on evaporation of Ar/Kr mixtures: A molecular dynamics study. Journal of Molecular Liquids, 2020, 319: 114189.

[11] Zhang S, Xu X*, Liu C, et al. Experimental investigation of the heat transfer behaviors of CO2, propane and their binary non-azeotropic mixtures above critical pressure in helically coiled tube[J]. Applied Thermal Engineering, 2020, 180.

[12] Zhang S, Xu X*, Liu C, et al. Experimental and numerical comparison of the heat transfer behaviors and buoyancy effects of supercritical CO2 in various heating tubes[J]. International Journal of Heat and Mass Transfer, 2020, 149.

[13] Zhang S, Xu X*, Liu C, et al. Experimental and numerical comparison of the heat transfer behaviors and buoyancy effects of supercritical CO2 in various heating tubes[J]. International Journal of Heat and Mass Transfer, 2020, 149.

[14] Zhang S, Xu X*, Liu C, et al. A review on application and heat transfer enhancement of supercritical CO2 in low-grade heat conversion[J]. Applied Energy, 2020, 269.

[15] Liu X X, Shan H, Zhang S J Xu X*, et al. Comparative Study on Heat Transfer Characteristics of Supercritical CO2 Heated in Vertical Straight Tube and Helically Coiled Tube[J]. Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics, 2020, 41(1): 55-60.

[16] Liu X, Xu X*, Liu C, et al. Flow structure at different stages of heat transfer deterioration with upward, mixed turbulent flow of supercritical CO2 heated in vertical straight tube[J]. Applied Thermal Engineering, 2020, 181.

[17] Dong Peixin, Li Xiaoxiao*. A novel method integrating windbreak walls with water distribution to mitigate the crosswind effects on natural draft dry cooling towers. Journal of Wind Engineering and Industrial Aerodynamics, 2020,

[18] Lin Z, Liu C, Liu L*, et al. (2020). Unprecedentedly High Selective Adsorption of Xe/Kr Mixtures in Carbon Nanotubes: A Molecular Simulation Study. Chemical Engineering Journal.

[19] Fenhong Song, Hu H., Fan, J., Chen, Q., Wang, G., & Liu, L* (2020). Molecular dynamics study on the coalescence and break-up behaviors of ionic droplets under DC electric field. Journal of molecular liquids.

[20] C. Wu*, X. Xu, Q. Li, J. Li, S. Wang, C. Liu. Proposal and assessment of a combined cooling and power system based on the regenerative supercritical carbon dioxide Brayton cycle integrated with an absorption refrigeration cycle for engine waste heat recovery. Energy Conversion and Management. 207 (2020) 112527.

[21] 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.

[22] 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.

[23] Shukun Wang, Chao Liu*, Qibin Li**, Lang Liu, Erguang Huo, Cheng Zhang，Selection principle of working fluid for organic Rankine cycle based on environmental benefits and economic performance，Applied Thermal Engineering, 178 (2020) 115598 .

[24] 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.

[25] 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.

[26] 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, 2020, 34, 1710−1719.

[27] Lu Zhang, Chao Liu*, Qibin Li，Molecular simulations of competitive adsorption behavior between CH4-C2H6 in K-illite clay at supercritical conditions，Fuel，260（2020）116358

[28] 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.

[29] 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.

[30] 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).

[31] Liu Y, He X, Zhao XM, Wang XP, Zheng X. Modeling heat capacity of saturated hydrocarbon in liquid phase over a wide range of temperature and pressure[J]. Journal of Molecular liquids, 2020, 319：114068.

[32] Liu Y, Zhao XM, Wang XP, Isobaric heat capacity prediction for HC, HFC, HFO and HCFO refrigerants in liquid phase[J]. International Journal of Refrigeration, 2020, 118: 41-49.

[33] Liu Y, Zhao XM, Wang XP, Wu A. Prediction of thermal conductivities for n-alkanes in liquid and supercritical phase[J]. Journal of Molecular liquids, 2020, 302: 112580.

[34] Liu Y, He X, Zhao XM. Saturated Liquid Density for Ethyl Fluoride (HFC-161)[J]. International Journal of Refrigeration, 2020. 111: 81-85.

[35] Wang Q, Xie H*, Liu J, Liu C. Heterogeneous nucleation of argon vapor on the nanostructure surface with molecular dynamics simulation [J]. Journal of Molecular Graphics & Modelling, 100, 2020, 107674.

[36] Liu J, Xie H*, Wang Q, Chen SY, Hu ZM. Influence of Pore Structure on Shale Gas Recovery with CO2 Sequestration: Insight Into Molecular Mechanisms [J]. Energy & Fuels, 34, 2020, 1240-1250.

[37] 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.

[38] 张路，刘朝*.页岩气中CH4-C2H6吸附-扩散分子动力学研究，工程热物理学报录用.

[39] 陈晓雪,刘朝*,李期斌,徐肖肖.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, 1604-1611.

[40] 李期斌*, 蔡守银, 刘朝. R1234yf, R1234ze(z), R32及其混合工质在Co-MOF-74中吸附储能的分子模拟. 科学通报, 2020, 65(7): 633-640. (Qibin Li*, Shouyin Cai, Chao Liu. Molecular simulation of energy storage of R1234yf, R1234ze(z), R32, and their mixtures in Co-MOF-74 materials. Chinese Science Bulletin, 2020, 65(7): 633-640.)

[1] Jieyao Hu, Chao Liu, Qibin Li*, Lang Liu. Thermal energy storage of R1234yf/MOF-5 and R1234ze(Z)/MOF-5 nanofluids: A molecular simulation study. Energy Procedia, 2019, 158: 4604-4610.

[2] Yingjie Zhou, Qibin Li*, Qiang Wang*. Energy Storage Analysis of UIO-66 and Water Mixed Nanofluids: An Experimental and Theoretical Study. Energies, 2019, 12(13): 2521.

[3] Yingjie Zhou, Junrong Tang, Cheng Zhang, Qibin Li*. Thermodynamic analysis of the air-cooled transcritical Rankine cycle using CO2/R161 mixture based on natural draft dry cooling towers. Energies, 2019, 12(17): 3342.

[4] Zhang S, Xu X*, Liu C, et al. The heat transfer of supercritical CO2 in helically coiled tube: Trade-off between curvature and buoyancy effect[J]. Energy, 2019, 176: 765-777.

[5] Zhang S, Xu X*, Liu C, et al. Experimental investigation on the heat transfer characteristics of supercritical CO2 at various mass flow rates in heated vertical-flow tube[J]. Applied Thermal Engineering, 2019, 157.

[6] Xu X*, Chen H, Liu C, et al. Prediction of the Binary Interaction Parameter of Carbon Dioxide/Alkanes Mixtures in the Pseudocritical Region[J]. ACS Omega, 2019, 4(8): 13279-13294.

[7] Liu X, Xu X*, Liu C, et al. The effect of geometry parameters on the heat transfer performance of supercritical CO2 in horizontal helically coiled tube under the cooling condition[J]. International Journal of Refrigeration, 2019, 106: 650-661.

[8] Li Xiaoxiao*, Gurgenci Hal, Guan Zhiqiang, Wang Xurong, Xia Lin. A review of the crosswind effect on the natural draft cooling towers. Appl Therm Eng. 2019;

[9] Liu L, Bhatia S K (2019). Influence of Morphology on Transport Properties and Interfacial Resistance in Nanoporous Carbons. The Journal of Physical Chemistry C.

[10] 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, 168 (2019) 332-345.

[11] Chen huashen, Chao Liu*, et al., Molecular dynamic simulation of sulfur solubility in H2S system，International Journal of Modern Physics B, 33, (2019) 1950052.

[12] 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.

[13] 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.

[14] 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，117.13(2019):1768-1780.

[15] 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.

[16] 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.

[17] 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.

[18] 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，Applied Thermal Engineering, 158, 25,2019, 113769.

[19] 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.

[20] Jie Wu, Chao Liu*, Qinbin Li,Thermal decomposition mechanism of O-acetyl-4-O-methylglucurono-xylan，Journal of Molecular Modeling,(2019) 25:234.

[21] Chao Liu*, Shukun Wang, Cheng Zhang,4 Qibin Li, Xiaoxiao Xu, Erguang Huo，Experimental study of micro-scale organic Rankine cycle system based on scroll expander， Energy, 188 (2019) 115930.

[22] 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.

[23] Wang Q, Xie H*, Hu ZM, Liu C. The Impact of the Electric Field on Surface Condensation of Water Vapor: Insight from Molecular Dynamics Simulation. Nanomaterials, 9 (2019) 1-11.

[24] Hu ZM; Xie H*, Wang Q, Chen SY. Adsorption and diffusion of sulfur dioxide and nitrogen in single-wall carbon nanotubes. Journal of Molecular Graphics & Modelling, 88 (2019) 62-70.

[25] Liu J, Xie H*, Wang Q, Chen SY, Hu ZM. The Effect of Pore Size on Shale Gas Recovery with CO2 Sequestration: Insight into Molecular Mechanisms [J]. Energy & Fuels, 3, 2019, 2897-2907.

[26] 霍二光,刘朝*, 徐肖肖, 李期斌.HFO-1336mzz(Z)氧化分解机理的DFT研究，工程热物理学报，2019,40(02):252-257.

[27] 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, 2019,33(08):1251-1256.

[28] 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， 2019,42(01):70-78.

[1] Jieyao Hu, Chao Liu, Lang Liu, Qibin Li*. Thermal energy storage of R1234yf, R1234ze, R134a and R32/MOF-74 nanofluids: A molecular simulation study. Materials, 2018, 11(7): 1164.

[2] Zhang S J, Xu X*, Zhang Y D, et al. The Investigation of CO2 Heat Absorption Characteristics in the Transcritical Rankine System[J]. Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics, 2018, 39(4): 719-723.

[3] Zhang S, Xu X*, Liu C, et al. The buoyancy force and flow acceleration effects of supercritical CO2 on the turbulent heat transfer characteristics in heated vertical helically coiled tube[J]. International Journal of Heat and Mass Transfer, 2018, 125: 274-289.

[4] Zhang S, Xu X*, Liu C, et al. The buoyancy force and flow acceleration effects of supercritical CO2 on the turbulent heat transfer characteristics in heated vertical helically coiled tube[J]. International Journal of Heat and Mass Transfer, 2018, 125: 274-289.

[5] Xu X*, Zhang Y, Liu C, et al. Experimental investigation of heat transfer of supercritical CO2 cooled in helically coiled tubes based on exergy analysis[J]. International Journal of Refrigeration, 2018, 89: 177-185.

[6] Xu X*, Zhang Y, Liu C, et al. Experimental investigation of heat transfer of supercritical CO2 cooled in helically coiled tubes based on exergy analysis[J]. International Journal of Refrigeration-Revue Internationale Du Froid, 2018, 89: 177-185.

[7] Xu X*, Xiao J, Chen L, et al. Establishment and verification of a two-phase flow distribution model in a parallel flow heat exchanger[J]. Huagong Xuebao/CIESC Journal, 2018, 69(5): 1938-1945.

[8] Xu X*, Liu X, Liu C, et al. Experimental study on heat transfer of supercritical CO2 cooled in horizontal helically coiled tube[C]. ACRA 2018 - 9th Asian Conference on Refrigeration and Air-Conditioning, 2018.

[9] Xu X*, Chen L, Xiao J, et al. Experimental study on pressure drop characteristic of two-phase flow in reduced tee junction with flat tube[J]. Huagong Xuebao/CIESC Journal, 2018, 69: 174-179.

[10] Liu X, Xu X*, Liu C, et al. Heat transfer deterioration in helically coiled heat exchangers in trans-critical CO2 Rankine cycles[J]. Energy, 2018, 147: 1-14.

[11] Liu X, Xu X*, Liu C, et al. Heat transfer deterioration in helically coiled heat exchangers in trans-critical CO2 Rankine cycles[J]. Energy, 2018, 147: 1-14.

[12] Li Xiaoxiao*, Gurgenci Hal, Guan Zhiqiang, Sun Yubiao. Experimental study of cold inflow effect on a small natural draft dry cooling tower. Appl Therm Eng. 2018;

[13] Liu Quanlong, Xia Lin, Hu Mengqi,Li Xiaoxiao*, Mi Zihao, Jia Junjie. Positive impact of a tower inlet cover on natural draft dry cooling towers under crosswind conditions. Appl Therm Eng. 2018.

[14] Lang, Liu, David, Nicholson, Suresh, & K, et al. (2018). Effects of flange adsorption affinity and membrane porosity on interfacial resistance in carbon nanotube membranes. ACS applied materials & interfaces.

[15] Liu, L, Nicholson. D. Bhatia, S.K (2018). Effects of Adsorption Affinity and Porosity on Interfacial Resistance in Carbon Nanotube Membranes. ACS Applied Materials & Interfaces.

[16] Wu C, Wang S-S, Li J. Exergoeconomic analysis and optimization of a combined supercritical carbon dioxide recompression Brayton/organic flash cycle for nuclear power plants[J]. Energy Conversion and Management, 2018, 171: 936-952

[17] C. Wu, S.-s. Wang, J. Li. Parametric study on the effects of a recuperator on the design and off-design performances for a CO2 transcritical power cycle for low temperature geothermal plants. Applied Thermal Engineering. 137 (2018) 644-58.

[18] 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.

[19] 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.

[20] 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.

[21] 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, 2018;93:249–58.

[22] 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.

[23] 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).

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[1] Qibin Li*, Yinsheng Yu, Yilun Liu*, Chao Liu, Liyang Lin. Thermal properties of the mixed n-octadecane/Cu nanoparticle nanofluids during phase transition: A molecular dynamics study. Materials, 2017, 10(1): 38.

[2] Qibin Li, Meng Wang, Yunpei Liang, Liyang Lin, Tao Fu, Peitang Wei, Tiefeng Peng*. Molecular dynamics simulations of aggregation of copper nanoparticles with different heating rates. Physica E, 2017, 90: 137-142.

[3] Qibin Li*, Yitian Xiao, Xiaoyang Shi, Shufeng Song. Rapid evaporation of water on graphene/graphene-oxide: A molecular dynamics study. Nanomaterials, 2017, 7: 265.

[4] Tiefeng Peng, Qibin Li*, Longhua Xu, Chao He, Liqun Luo. Surface interaction of nanoscale water film with SDS from computational simulation and film thermodynamics. Entropy, 2017, 19: 620.

[5] Wang K Z, Xu X* X, Liu C, et al. Experimental and numerical investigation on heat transfer characteristics of supercritical CO2 in the cooled helically coiled tube[J]. International Journal of Heat and Mass Transfer, 2017, 108: 1645-1655.

[6] Wang K, Xu X*, Liu C, et al. Numerical simulation of heat transfer characteristics of supercritical CO2 in helically coiled tube[J]. Taiyangneng Xuebao/Acta Energiae Solaris Sinica, 2017, 38(4): 1102-1108.

[7] Liu X, Xu X*, Liu C, et al. Numerical study of the effect of buoyancy force and centrifugal force on heat transfer characteristics of supercritical CO2 in helically coiled tube at various inclination angles[J]. Applied Thermal Engineering, 2017, 116: 500-515.

[8] Liu X, Xu X*, Liu C, et al. Numerical study of the effect of buoyancy force and centrifugal force on heat transfer characteristics of supercritical CO2 in helically coiled tube at various inclination angles[J]. Applied Thermal Engineering, 2017, 116: 500-515.

[9] Li Xiaoxiao*, Duniam Sam, Gurgenci Hal, Guan Zhiqiang, Veeraragavan Anand. Full scale experimental study of a small natural draft dry cooling tower for concentrating solar thermal power plant. Appl Energy. 2017;

[10] Li Xiaoxiao*, Xia Lin, Gurgenci Hal, Guan Zhiqiang. Performance enhancement for the natural draft dry cooling tower under crosswind condition by optimizing the water distribution. Int J Heat Mass Transfer. 2017;

[11] Li Xiaoxiao*, Gurgenci Hal, Guan Zhiqiang, Wang Xurong, Duniam Sam. Measurements of crosswind influence on a natural draft dry cooling tower for a solar thermal power plant. Appl Energy. 2017;

[12] Liu L, Nicholson D , Bhatia S K (2017). Exceptionally high performance of charged carbon nanotube arrays for CO2 separation from flue gas. Carbon.

[13] Liu, L, Nicholson, D., Bhatia, S.K(2017). Exceptionally high performance of charged carbon nanotubearrays for CO2 separation from flue gas. Carbon.

[14] Liu, L, Nicholson, D., Bhatia, S.K(2017).Inhibitory Effect of Adsorbed Water on the Transport of Methane in Carbon Nanotubes. Langmuir.

[15] C. Wu, S.-s. Wang, X.-j. Feng, J. Li. Energy, exergy and exergoeconomic analyses of a combined supercritical CO2 recompression Brayton/absorption refrigeration cycle. Energy Conversion and Management. 148 (2017) 360-77.

[16] C. Wu, S.-s. Wang, X. Jiang, J. Li. Thermodynamic analysis and performance optimization of transcritical power cycles using CO2-based binary zeotropic mixtures as working fluids for geothermal power plants. Applied Thermal Engineering. 115 (2017) 292-304.

[17] Zhang,Hao; Liu,Chao*; Xu, Xiaoxiao; Li, Qibin. Mechanism of thermal decomposition of HFO-1234yf by DFT study. International Journal of Refrigeration, 2017,74:399-411.

[18] Zhang, Cheng; Liu, Chao*; Wang, Shukun; Xu, Xiaoxiao; Li, Qibin. Thermo-economic comparison of subcritical organic Rankine cycle based on different heat exchanger configurations. Energy, 2017, 123:728-741.

[19] Yang, Mei; Liu, Chao*.The calculation of fluorine plastic economizer in economy by using the equivalent heat drop. Energy, 2017, 135: 674-684.

[20] Yayun Zhang; Chao Liu*; Feng Hao; Hang Xiao; Shiwei Zhang; Xi Chen，CO2 Adsorption and Separation from Natural Gas on Phosphorene Surface: Combining DFT and GCMC calculations, Applied Surface Science, 397 (2017) 206–212

[21] Li, Zeyu ; Liu, Chao*; Xu, Xiaoxiao ; Li, Qibin.A theoretical study on the mechanism of xylobiose during pyrolysis process. Computational & theoretical chemistry, 2017,1117:130-140.

[22] Huo Erguang; Liu, Chao*; Xu, Xiaoxiao; Dang, Chaobin.A ReaxFF-based molecular dynamics study of the pyrolysis mechanism of HFO-1336mzz(Z). International Journal of Refrigeration, 2017,83:118-130.

[23] Cao, Yu; Liu, Chao*; Zhang, Hao; Xu, Xiaoxiao; Li, Qibin.Thermal decomposition of HFO-1234yf through ReaxFF molecular dynamics simulation. Applied Thermal Engineering, 2017,126:330-338.

[24] Liu Y, Zhao XM, Lv SH, Heat capacity of isobutane in liquid phase at temperatures from 303 K to 413 K and pressures up to 12MPa[J]. Journal of Chemical Thermodynamics, 2017, 111:265-270.

[25] Liu Y, Zhao XM, He HW, Wang R. Heat Capacity of R1234ze (E) at Temperatures from 313 to 393 K and Pressures up to 10 MPa[J]. Journal of Chemical and Engineering Data, 2017, 63(1): 113-118.

[26] Liu Y, Zhao XM, Lv SH, He HW, Isobaric Heat Capacity Measurements for R1234yf from 303 to 373 K and Pressures up to 12 MPa[J]. Journal of Chemical and Engineering Data, 2017, 62(3):1119-1124.

[27] Wang Q, Xie H*, Chen YS, Liu C. Effects of temperature and pressure on the nucleation and growth of silver clusters from supersaturated vapor: A molecular dynamics analysis. International Journal of Modern Physics B, 2017,31.

[28] 张浩,刘朝*,吴小阳,曹宇,徐肖肖.HFO-1234ze(Z)热解机理的DFT研究.工程热物理学报,2017,38(09):1828-1832.

[1]Qibin Li*, Xianghe Peng, Tiefeng Peng*, Qizhong Tang, Chao Liu, Xiaoyang Shi. Molecular dynamics simulations of coating process: influences of thermostat methods. Journal of Computational and Theoretical Nanoscience, 2016, 13: 4629-4633.

[2]Qibin Li, Cheng Huang, Yunpei Liang*, Tao Fu, Tiefeng Peng*. Molecular dynamics simulation of nanoindentation of Cu/Au thin films at different temperatures. Journal of Nanomaterials, 2016, 2016:9265948.

[3]Qibin Li, Tao Fu, Tiefeng Peng*, Xianghe Peng*, Chao Liu, Xiaoyang Shi. Coalescence of Cu contacted nanoparticles with different heating rates: a molecular dynamics study. International Journal of Modern Physics B, 2016, 30: 1650212.

[4]Xu X*, Liu C, Dang C, et al. Experimental investigation on heat transfer characteristics of supercritical CO2 cooled in horizontal helically coiled tube[J]. International Journal of Refrigeration, 2016, 67: 190-201.

[5]Li H, Xu X*, Liu C, et al. Flow direction effect on heat transfer of supercritical CO2 in helically coiled tube[J]. Hangkong Xuebao/Acta Aeronautica et Astronautica Sinica, 2016, 37(7): 2123-2131.

[6]Li Xiaoxiao*, Guan Zhiqiang, Gurgenci Hal, Lu Yuanshen, He Suoying. Simulation of the UQ Gatton natural draft dry cooling tower. Appl Therm Eng. 2016;

[7]Liu, L. Nicholson. D. Bhatia S.K(2016).Interfacial Resistance and Length-Dependent Transport Coefficients in Carbon Nanotubes. Journal of Physical Chemistry C.

[8]C. Wu, S.-s. Wang, K.-l. Bai, J. Li. Thermodynamic analysis and parametric optimization of CDTPC-ARC based on cascade use of waste heat of heavy-duty internal combustion engines (ICEs). Applied Thermal Engineering. 106 (2016) 661-73.

[9]C. Wu, X.-j. Yan, S.-s. Wang, K.-l. Bai, J. Di, S.-f. Cheng, et al. System optimisation and performance analysis of CO2 transcritical power cycle for waste heat recovery. Energy. 100 (2016) 391-400.

[10]Wang,Meng; Liu,Chao*.Theoretic studies on decomposition mechanism of o-methoxy phenethyl phenyl ether: Primary and secondary reactions.Journal of analytical and applied pyrolysis,2016,117:325-333.

[11]Zhang,Yayun; Liu,Chao*; Chen,Xi. Mechanism of glucose conversion in supercritical water by DFT study. Journal of analytical and applied pyrolysis, 2016,119:199-207.

[12]Wang,Meng; Liu, Chao*; Xu, Xiaoxiao; Li, Qibin.Theoretical investigation on the carbon sources and orientations of the aldehyde group of furfural in the pyrolysis of glucose. Journal of analytical and applied pyrolysis,2016,120:464-473.

[13]Liu,Chao*; Wang,Xi; Gao,Hong; Zhang,Cheng; He,Chao.The injector-based regenerative supercritical organic Rankine cycle. Journal of Mechanical Science and Technology, 2016,30(5):2353-2360.

[14]Wang,Meng; Liu,Chao*; Xu,Xiaoxiao;Li,Qibin.Theoretical study of the pyrolysis of vanillin as a model of secondary lignin pyrolysis[J].Chemical Physics Letters,2016,654:41-45.

[15]Zhang,Yayun; Hao,Feng; Liu,Chao*; Chen,Xi.Band gap and oxygen vacancy diffusion of anatase (101) surface: the effect of strain.Theoretical chemistry accounts, 2016,135(7): 1-6.

[16]Lei, Guangping; Liu, Chao*; Li, Qibin; Xu, Xiaoxiao.Graphyne nanostructure as a potential adsorbent for separation of H2S/CH4 mixture: Combining grand canonical Monte Carlo simulations with ideal adsorbed solution theory. Fuel, 2016,182:210-219.

[17]刘朝*,公茂琼,李友荣,吴双应,董学强.低品位能源利用热力学基础及评价.科技资讯,2016,14(14):177-178.