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Details of the Faculty or Staff
Name  
 Guo Guangjun
Title  
   Professor
Highest Education  
   Ph.D.
Subject Categories  
   Geology
Phone  
   010-82998369
Zip Code  
   100029
Fax  
   86-10-62010846
Email  
   guogj@mail.igcas.ac.cn
Office  
   No.19 Beitucheng West Road, Chaoyang District, Beijing, 100029, China

Education and Appointments：

1988-1992:  B.S.  in the Department of Geology, Peking University
1992-1995:  M.S.  in the Department of Geology, Peking University
1995-1998:  Ph.D. in the Department of Geology, Peking University
1998-2000:  Postdoctor in the Institute of Geology and Geophysics，CAS
2000-2002:  Assistant professor  in the Institute of Geology and Geophysics，CAS
2003-2006:  Associate professor in the Institute of Geology and Geophysics，CAS
2007-present: Professor in the Institute of Geology and Geophysics，CAS

Director，Supercomputing Laboratory

Research Interests：
Molecular simulations on unconventional oil and gas (such as natural gas hydrates, shale gas, and coal-bed gas)
Public Services：

Honors：
Science and Technology Award from China's Ministry of Land and Resources (The first class, the fourth awardee, 2017)

Supported Projects：
  1. "Molecular dynamics simulations of the nucleation process of natural gas hydrates", National Natural Science Foundation of China (NSFC), Grant No.40102005, 2002.1-2004.12
  2. "Molecular dynamics simulations of the nucleation process of natural gas hydrates (II)", National Natural Science Foundation of China (NSFC), Grant No.40672034, 2007.1-2009.12
  3. "Study on the T-P conditions of natural gas hydrates in the north of the South China Sea", National Basic Research Program of China (the 973 Program), Grant No.2009CB219503, 2009.1-2013.8
  4. "Gradients of seismic velocities and density in the mantle transition zone——Studies by MD simulation and shock wave experiment", Chinese Academy of Sciences, Grant No.KZCX2-EW-118, 2011.1-2013.12
  5. "Molecular dynamics simulations of the nucleation process of natural gas hydrates (III)", National Natural Science Foundation of China (NSFC), Grant No.41372059, 2014.1-2017.12
  6. "Microscopic occurrence state and microscopic flow of shale gas", The Strategic Priority Research Program of the Chinese Academy of Sciences, Grant No.XDB10020000, 2014.1-2018.12
  7. "Molecular simulation studies on the gas generation mechanisms of coals via the stress-induced decomposition reactions", National Natural Science Foundation of China (NSFC), Grant No. 41772164, 2018.1-2021.12
  8. "Formation and dissociation mechanisms of the secondary hydrate and its prevention techniques", The Key Research Program of the Institute of Geology & Geophysics, CAS, Grant No. IGGCAS-201903, 2019.11-2022.10

Publications：
[34]

Zheng, C., Guo, G.*, Qin, X., Dong, Y., Lu, C., Peng, B., Tang, W., and Bian, H., 2023, Molecular simulation studies on the water/methane two-phase flow in a cylindrical silica nanopore: Formation mechanisms of water lock and implications for gas hydrate exploitation, Fuel, Vol.333, 126258, pp.1-11
[33]

Zhang, Z., Wu, N.*, Liu, C., Hao, X., Zhang, Y., Gao, K., Peng, B., Zheng, C., Tang, W., and Guo, G.*, 2022. Molecular simulation studies on natural gas hydrates nucleation and growth: A review, China Geology, Vol.5, pp.330-344
[32]

Guo, G.* and Zhang, Z., 2021, Open questions on methane hydrate nucleation, Communications Chemistry, Vol.4, 102, pp.1-3
[31]

Zhang, Z. and Guo, G.*, 2021, Comment on "Iterative cup overlapping: An efficient identification algorithm for cage structures of amorphous phase hydrates", J. Phys. Chem. B, Vol.125, pp.5451-5453
[30]

Wang, J., Hou, Q., Zeng, F.*, and Guo, G.*, 2021, Gas generation mechanisms of bituminous coal under shear stress based on ReaxFF molecular dynamics simulation, Fuel, Vol.298, 120240, pp.1-9
[29]

Wang, J., Hou, Q., Zeng, F.*, and Guo, G.*, 2021, Stress Sensitivity for the Occurrence of Coalbed Gas Outbursts: A Reactive Force Field Molecular Dynamics Study, Energy & Fuels, Vol.35, pp.5801-5807
[28]

Gao, K., Guo, G.*, Zhang, M., Zhang, Z., and Peng Bo, 2021, Nanopore surfaces control the shale gas adsorption via roughness and layer-accumulated adsorption potential: A molecular dynamics study, Energy & Fuels, Vol.35, pp.4893-4900
[27]

Zhang, Z., Kusalik, P. G., Guo, G., Ning, F., and Wu, N.*, 2021, Insight on the stability of polycrystalline natural gas hydrates by molecular dynamics simulations, Fuel, Vol.289, 119946, pp.1-9
[26]

Zhang, Z., Guo, G., Wu, N., and Kusalik, P. G.*, 2020, Molecular Insights into Guest and Composition Dependence of Mixed Hydrate Nucleation, J. Phys. Chem. C, Vol.124, pp.25078-25086
[25]

Zhang, M., Guo, G.*, Tian, H., Zhang, Z., and Gao, K., 2020, Effects of italicized angle and turning angle on shale gas nanoflows in non-straight nanopores: A nonequilibrium molecular dynamics study, Fuel, Vol.278, 118275, pp.1-8
[24]

Zhang, Z., Kusalik, P. G., and Guo, G.*, 2019, Might a 2,2-Dimethylbutane Molecule Serve as a Site to Promote Gas Hydrate Nucleation?, J. Phys. Chem. C, Vol.123, pp.20579-20686
[23] Wang, J., Guo, G.*, Han, Y., Hou, Q.*, Geng, M., and Zhang, Z., 2019, Mechanolysis mechanisms of the fused aromatic rings of anthracite coal under shear stress, Fuel, Vol.253, pp.1247-1255
[22] Hall, K. W., Zhang Z., Burnham, C. J., Guo, G., Carpendale, S., English, N. J., and Kusalik, P. G.*, 2018, Does Local Structure Bias How a Crystal Nucleus Evolves?, J. Phys. Chem. L, Vol.9, pp. 6991-6998
[21] Zhang, Z., Kusalik, P. G., and Guo, G.*, 2018, Bridging solution properties to gas hydrate nucleation through guest dynamics, Phys. Chem. Chem. Phys., Vol.20, pp.24535-24538
[20] Tian, H., Guo, G.*, Geng, M., Zhang, Z., Zhang, M., Gao, K., 2018, Effects of gas reservoir configuration and pore radius on shale gas nanoflow: A molecular dynamics study, J. Chem. Phys., Vol.148, 204703, pp.1-8
[19] Zhang, Z., Kusalik, P. G., and Guo, G.*, 2018, Molecular insight into the growth of hydrogen and methane binary hydrates, J. Phys. Chem. C, Vol.122, pp.7771-7778 
[18] Wang, J., Han, Y., Chen, B., Guo, G., Hou, Q.*, Zhang, Z., 2017, Mechanisms of methane generation from anthracite at low temperatures: Insights from quantum chemistry calculations, Int. J. Hydrogen Energy, Vol.42, pp.18922-18929
[17] Zhang, Z. and Guo, G.*, 2017, The effects of ice on methane hydrate nucleation: a microcanonical molecular dynamics study, Phys. Chem. Chem. Phys., Vol.19, pp.19496-19505
[16] Liu, C., Zhang, Z., Guo, G.*, 2016, Effect of guests on the adsorption interaction between a hydrate cage and guests, RSC Adv., Vol.6, pp.106443-106452
[15] Zhang, Z., Liu, C., Walsh, M. R., Guo, G.*, 2016, Effects of ensembles on methane hydrate nucleation kinetics, Phys. Chem. Chem. Phys., Vol.18, pp.15602-15608
[14] Zhang, Z., Walsh, M. R., Guo, G.*, 2015, Microcanonical molecular simulations of methane hydrate nucleation and growth: evidence that direct nucleation to sI hydrate is among the multiple nucleation pathways, Phys. Chem. Chem. Phys., Vol.17, pp.8870-8876 
[13] Liu, C., Zhang, Z.C., Zhang, Z.G., Zhang, Y., Guo, G.*, 2013, Effects of cage type and adsorption face on the cage-methane adsorption interaction: Implications for hydrate nucleation studies, Chem. Phys. Lett., Vol.475, pp.54-58
[12] Guo, G. and Rodger, P.M, 2013, Solubility of Aqueous Methane under Metastable Conditions: Implications for Gas Hydrate Nucleation, J. Phys. Chem. B, Vol.117, pp.6498-6504 
[11] Guo, G., 2011, Cage adsorption hypothesis on hydrate nucleation mechanisms，Proceedings of the 7th International Conference on Gas Hydrates, Edinburgh, Scotland, United Kingdom, July 17-21, 2011, No.O2B.2, pp.1-5
[10] Guo, G., Zhang, Y., Liu, C., and Li, K., 2011, Using the face-saturated incomplete cage analysis to quantify the cage compositions and cage linking structures of amorphous phase hydrates，Phys. Chem. Chem. Phys., Vol.13, pp.12048-12057
[9] Guo, G., Li, M., Zhang, Y., and Wu, C., 2009, Why can water cages adsorb aqueous methane? A potential of mean force calculation on the hydrate nucleation mechanisms，Phys. Chem. Chem. Phys., 2009, Vol.11, pp.10427-10437
[8] Guo, G., Zhang, Y., Li, M., and Wu, C., 2008, Dynamic lifetimes of cagelike water clusters immersed in liquid water and their implications for hydrate nucleation studies, Proceedings of the 6th International Conference on Gas Hydrates, Vancouver, Canada, July 6-10, 2008, 5488, pp.1-5
[7] Guo, G., Zhang, Y., Li, M., and Wu, C., 2008, Can the dodecahedral water cluster naturally form in methane aqueous solutions? A molecular dynamics study on the hydrate nucleation mechanisms, J. Chem. Phys., Vol.128, 194504, pp.1-8
[6] Guo, G., Zhang, Y., and Liu, H., 2007, Effect of methane adsorption on the lifetime of a dodecahedral water cluster immersed in liquid water: A molecular dynamics study on the hydrate nucleation mechanisms, J. Phys. Chem. C, Vol.111, No.6, pp.2595-2606
[5] Guo, G., Zhang, Y., and Refson, K., 2005, Effect of H-bond topology on the lifetimes of cagelike water clusters immersed in liquid water and the probability distribution of these lifetimes: Implications  for hydrate nucleation mechanisms, Chem. Phys. Lett., Vol.413, No.4-6, pp.415-419
[4] Guo, G., Zhang, Y., Zhao, Y., Refson, K., and Shan, G., 2004, Lifetimes of cage-like water clusters immersed in bulk liquid water: A molecular dynamics study on gas hydrate nucleation mechanisms,  J. Chem. Phys., Vol.121, No.3, pp.1542-1547
[3] Guo, G., Zhang, Y., and Zhao, Y., 2003, Comment on "Computation of the viscosity of a liquid from time averages of stress fluctuations", Phys. Rev. E, Vol.67, 043101, pp.1-3 
[2] Guo, G., Zhang, Y., Refson, K., and Zhao, Y., 2002, Viscosity and stress autocorrelation function in  supercooled water: A molecular dynamics study, Molecular Physics, Vol.100, No.16, pp.2617-2627
[1] Guo, G. and Zhang, Y., 2001, Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water, Molecular Physics, Vol.99, No.4, pp.283-289
 
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