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段振豪 (博士)

    Department of Chemistry, 0340
University of California, San Diego
La Jolla, CA 92129, USA
Phone: 858-822-0281(美) 010-62007447(中)
E-mail: duanzhenhao@yahoo.com
中科院地质与地球物理研究所研究员
美国加州大学(San Diego)化学系教授(兼)
中国旅美科技学会(San Diego)名誉会长
海外华人地球科学技术协会副会长
首批新世纪百千万人才工程国家级人选
   
    
    段振豪研究员1982年毕业于中国地质大学(武汉)地球化学专业,1985年于中国地质科学院获硕士学位,1988年中国地质大学(北京)获博士学位,1988年至1991年于美国加州大学做博士后工作,主攻物理化学和地球化学专业。1992年至今在加州大学做助理教授、副教授和研究员,主要从事地质流体物理化学和分子动力学计算机模拟研究工作和教学工作。2002年被中科院地质与地球物理研究所聘为“海外杰出人才”研究员 。

 

 

 

    
    通过分子水平上的模拟,借助于热力学和统计力学方法,研究地质流体和矿物岩石在地球内部的物理化学性质和地球化学行为,一方面把传统的实验搬入计算机,进行“计算机实验”,这种实验没有温压条件的限制,从而可以研究地球内部不同层圈的物理化学性质和层圈之间的物质和能量交换;另一方面以离散的实验数据和模拟数据为基础,建立具有很强预测能力的物理化学模型,把有限的实验数据外推到广阔的温压空间,为研究地球各层圈内地球化学过程和层圈之间的耦合提供定量工具。
   

 

 

 
    发表国际SCI论文约30篇,研究成果被世界上多个国家的研究者用于包裹体、地热、甲烷水合物、天然气、水岩反应、二氧化碳储藏等方面的理论和实验研究,被引用300多次。最近主要研究成果包括以下几个方面:

    1. 分子动力学和蒙特卡罗模拟研究:通过分子水平上的计算机模拟,研究地质流体的物理化学性质和地球化学过程。把实验地球化学研究的温压范围(小于1000 C、10000大气压)扩展到超过2000 C、20万大气压。

    2. 状态方程:建立了多个具有预测性的状态方程,用于计算由水-气-盐组成的地质流体的相平衡、化学位、焓、PVT性质等方面的物理化学性质。这些方程在实验的基础上具有很强的外延性和预测性,其中一个方程仅根据500 C,2000大气压以下的甲烷的PVT数据,加上一些分子动力学模拟的结果,就成功地:(i)从一个很小的温压范围外推到很宽的温压范围;(ii)从一个组分(CH4)外推到其它组分(如H2O);(iii) 从纯体系外推到混合体系;(iv)从PVT数据外推到相平衡和自由能。

    3. 气体溶解度模型:将本人建立的高精度状态方程和Pitzer特征作用模型相结合,建立了CH4、CO2、N2和H2S在水-盐-气体系中的溶解度模型。该模型被世界上多个国家的研究者用于甲烷水合物、天然气和二氧化碳储藏方面的研究。

    4. 在多体系相图拓扑分析理论(相平衡图示理论)方面取得了重要进展。在可靠的热力学分析基础上大大扩展了相图拓扑分析理论的适用范围;提出了推导各种多体系封闭网的一套通用、完整而又简单的新方法。

    5. 应用量子力学从头算(ab initio)确定的各向异性的分子模型,准确预测了甲烷水合物(可燃冰) 和二氧化碳水合物形成的物理化学条件。

 

    

1995年,流体模型软件开发,美国加州大学能源所,10万美元
1995
年,重点发展学科专家基金,中国教育部,10万人民币
1996
年,地热流体物理化学,美国能源部,200万美元
1999
年,杰出青年科学家基金(B),中国自然科学基金会,30万人民币
2001
年,流体分子动力学,美国自然科学基金会,30万美元
2002
年,引进海外杰出人才计划,中国科学院,200万人民币
2002
年,临界状态流体物理化学性质,美国石油研究基金会,36万美元
2003年,地质流体物理化学性质,美国自然科学基金会,30万美元
2003
年,杰出青年科学家基金(A),中国自然科学基金会,100万人民币

  

  
 
(38) Zhigang Zhang and Zhenhao Duan. (2005) An optimized molecular potential for carbon dioxide. J. Chem. Phys., 122: 214507 [PDF]
(37) Zhenhao Duan, N. Moller and J. H. Weare (2004) Gibbs ensemble simulation of vapor/liquid equilibrium using the flexible RWK2 water. J. Phys. Chem. B, 108: 20303-20309 [PDF]
(36) Zhigang Zhang and Zhenhao Duan. (2005) Prediction of the PVT properties of water over wide range of temperatures and pressures from molecular dynamics simulation. Phys. Earth Planet Interiors, 149: 335-354 [PDF]
(35) Zhigang Zhang and Zhenhao Duan. (2004) Lithium chloride ionic association in dilute aqueous solution: a constrained molecular dynamics study. Chem. Phys., 297: 221-233 [PDF]
(34)

Hu Jiawen, Yin Hui’an, Duan Zhenhao, A New Method for the Derivation of the Closed Nets in the Phase Diagram Space of Multisystems.I. The Absent Phase Substitution  Method.Journal of Metamorphic Geology, Vol 22.pp.413-425(2004)

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(33) Duan Zhenhao,  Hu Jiawen, A new cubic equation of state and its applications to the modeling of vapor-liquid equilibria and volumetric properties of natural fluids.GEOCHIM COSMOCHIM AC, 68 (14): 2997-3009 JUL 2004 [PDF]
(32)

 Zhenhao Duan and Zhigang Zhang. (2003) Solvation properties of Li+ and Cl- in water: molecular dynamics simulation with a non-rigid model. Mol. Phys. 101 (10): 1501-1510

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(31)

曾容树 孙枢 陈代钊 段振豪(2004)  减少二氧化碳对大气层的排 放----二氧化碳地下储存研究.  中国科学基金 (4)196-200

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(30)

Zhenhao Duan, N. Moller and John H. Weare (2003) Equations of State for the NaCl-H2O-CH4 System and the NaCl-H2O-CO2-CH4 System: Phase Equilibria and Volumetric Properties above 573 K. Geochim. Cosmochim. Acta  vol.67, pp 671-680.

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(29)

Zhenhao Duan and Rui Sun, (2003) An improved model calculating CO2 solubility in pure water and aqueous NaCl solutions from 273 to 533 K and from 0 to 2000bar. Chemical Geology, vol. 193,  pp 253-271

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(28)

Zhigang Zhang and Zhenhao Duan. (2002) Phase equilibria of the system methane-ethane from temperature scaling Gibbs ensemble Monte Carlo simulation. Geochim. Cosmochim. Acta. 66 (19): 3431-3439

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(27)

Sun Rui, Hu Wenxuan, and Duan Zhenhao. Prediction of nitrogen solubility in pure water and aqueous NaCl solutions up to high temperature, pressure, and ionic strength. J. Solution Chem. 2001, 30(6):561-573.

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(26)

Zhenhao Duan and W. Hu (2001) The accumulation of potash in a continental basin: The example of Qarhan Saline Lake, West China, European Journal of Mineralogy, vol. 13, pp1223-1233

[Abstract]
(25)

Zhenhao Duan, Computer modeling and molecular dynamics simulation of thermodynamic properties of  geological fluids, Trends in Geochemistry, 2000

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(24)

Zhenhao Duan, N. Moller, J. H. Weare. 2000, Accurate prediction of thermodynamic properties of fluids in the system H2O - CO2-CH4-N2  Geochim. Cosmochim. Acta, vol. 64, pp. 1069-1075

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(23)

J. W. Weare, Zhenhao  Duan and N. Moller.1998, Modeling hydrothermal solutions to high temperatures and pressures (a chapter of a book titled "Geological fluids").

 
(22)

Zhenhao  Duan, N. Moller and J. H. Weare. 1996, A general equation of state for supercritical fluids and molecular dynamics simulation of mixture PVTX properties. Geochim. Cosmochim. Acta, Vol. 60, pp. 1209-1216

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(21)

Zhenhao  Duan, N. Moller and J. H. Weare. 1996, Equation of state for the NH3-H2O system, J. Solu. Chem. Vol. 25 pp. 43-50

 
(20)

Zhenhao  Duan, N. Moller and J. H. Weare. 1996, Prediction of the solubility of  H2S  in the NaCl aqueous solutions.   Chemical Geology. Vol.130, pp.15-20

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(19)

Zhenhao  Duan, N. Moller and J. H. Weare. 1995, A Fortran 77 program for calculating the volumetric properties and phase equilibria of the system NaCl-H2O-CO2   Submitted to Computers and Geosciences

 
(18)

Zhenhao  Duan, N. Moller and J. H. Weare. 1995, Measurements of the PVT properties of water to 25 kbars and 1600 oC  from synthetic fluid inclusions in Corundum.   Geochim. Cosmochi. Acta, Vol.59, pp. 2693

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(17)

Zhenhao  Duan, N. Moller and J. H. Weare. 1995, Equation of state for the NaCl-H2O-CO2 system: prediction of phase equilibria and volumetric properties.   Geochim. Cosmochi. Acta, Vol.59, pp. 2869-2882

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(16)

Zhenhao  Duan, N. Moller and J. H. Weare. 1995, Molecular dynamics simulation of water Properties using RWK2 potential: From clusters to bulk water.  Geochim. Cosmochi. Acta, Vol. 59. pp. 3345-3357  

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(15) Zhenhao  Duan, N. Moller and J. H. Weare. 1995, Molecular dynamics equation of state for non-polar geochemical fluids.  Geochim. Cosmochi. Acta, Vol.56, pp.1533-1538 [PDF]
(14)

Zhenhao  Duan, N. Moller and J. H. Weare. 1992, An equation of state (EOS) for CH4-     CO2-H2O   I: pure systems from 0 to 1000  oC and from 0 to 8000 bar. Geochim. Cosmochim. Acta , Vol. 56, pp. 2605-2617

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(13)

Zhenhao  Duan, N. Moller and J. H. Weare. 1992, An equation of state (EOS) for CH4 CO2-H2O   II: Mixtures from 0 to 100  oC and from 0 to 1000 bar. Geochim. Cosmochim. Acta, vol. 56, pp. 2619-2631

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(12)

Zhenhao  Duan, N. Moller, J. Greenberg and J. H. Weare. 1992, Prediction of methane solubilities in natural waters to high ionic strength from 0 to 250  oC and from 0 to 1600 bar. Geochim. Cosmochim. Acta, Vol. 56, pp.1451-1460

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(11)

Zhenhao  Duan, N. Moller and J. H. Weare (1992) Molecular dynamics simulation of PVT properties of geological fluids and a equation of state of nonpolar and weakly polar gases up to 2000 K and 20,000 bar,   Geochim. Cosmochim. Acta, vol. 56, pp3839-3845

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(10)

Zhenhao  Duan, N. Moller, J. Greenberg and J. H. Weare  Models of geothermal brine chemistry for optimizing resource performance.  Proceedings of Geothermal Program review IX, 1991.

 
(9)

Zhenhao  Duan, N. Moller, T. DeRocher and J. H. Weare, Prediction of boiling, scaling and formation conditions in geothermal reservoir: application of computer programs TEQUIL and GEOFLUIDS. Geothermics  1996, vol. 25, pp.663-678

 
(8)

Zhenhao  Duan, Yuan Jianqi (1989) The Mixing of natural waters and the application of Pitzer theory and HW model to the study of mixing, Earth Sciences, vol. 14, pp. 553

 
(7)

Zhenhao  Duan, 1989, The shift of river channels in Qarhan Area,Qaidam Basin, Bulletin of Chinese Academy of Geological Sciences ,1989,No.4

 
(6)

Zhenhao  Duan, The hydrocyclic changes of Dabuxun Lake level accumulated K+ in the lake, Chemical Geology, 1988,No.1

 
(5)

Zhenhao Duan, 1988, The Geochemistry of Brines in Qarhan Saline Lakes, Ph.D. dissertation, China Geoscience University

 
(4)

Zhenhao  Duan, Yuan Jianqi, The parent waters of brines in Qarhan Saline Lake, Western China, Modern Geology,1988,No.4

 
(3)

Zhenhao  Duan, 1987, The formation, development and vanishing of Dadong Ancient Lake, Qaidam Basin,  Economy Geology. vol.6, pp. 91

 
(2)

Wu Bihao, Zhenhao  Duan, Guan Yuhua, Lian Wei, 1986, Deposition of Potash-Magnesium Salts in Qarhan Playa, Qaidam Basin, Acta Geologica Sinica, Vol. 60, pp79

 
(1)

Zhenhao  Duan, 1985,  The formation of the sediments in Qaidam Basin, M.S. Thesis, Chinese Academy of Geological Sciences.

 

   

 
      

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