第一性原理模拟研究CaCO3高温高压相关系
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- 论文作者：张志刚
- 年：2015
- 作者机构：中国科学院地质与地球物理研究所中国科学院地球与行星物理重点实验室;
- 会议召开时间：2015-10-10
- 会议录名称：2015中国地球科学联合学术年会论文集（三）——专题7大陆岩石圈地幔属性与过程、专题8岩石圈结构与大陆动力学、专题9深部地幔物质成分与结构探测
- 语种：中文
- 分类号：P542.5
- 学会代码：ZGDW
- 会议名称：2015中国地球科学联合学术年会
- 会议地点：中国北京
- 主办单位：中国地球物理学会、全国岩石学与地球动力学研讨会组委会、中国地质学会构造地质学与地球动力学专业委员会、中国地质学会区域地质与成矿专业委员会
- 学会名称：中国地球物理学会
- 页数：2
- 文件大小：907k
- 原文格式：D
- 会议级别：全国
摘要
<正>碳在深部地幔以多种形式存在[1]。而根据高温高压实验,碳在硅酸盐矿物及其熔体中的溶解度较小,并且随压力下降很快[2,3],因此碳酸盐及其熔体[4]、金刚石[5]、二氧化碳[6]、铁碳化合物[7]等碳的独立相可能是地幔中碳的几种主要存在形式。了解碳酸盐及其熔体在地幔条件下的物理化学性质,对于理解碳的其它存在形式形成条件[8]、地幔矿物部分熔融[3]以及解释太平洋下的软流圈中垂直于大洋中脊方向的高电导率异常[9]等方面都具有重要意义。
引文
1.Hazen,R.M.,Downs,R.T.,Jones A.P.,Kah L.,2013.Carbon mineralogy and crystal chemistry.Reviews Mineral Geochem,75:7-46.
2.Shcheka,S.S.,Wiedenbeck,M.,Frost,D.J.,Keppler,H.,2006.Carbon solubility in mantle minerals.Earth Planet Sc Lett 245,730-742.
3.Dasgupta,R.,Hirschmann,M.M.,2010.The deep carbon cycle and melting in Earth's interior.Earth Planet Sc Lett 298,1-13.
4.Jones,A.P.,Genge,M.,Carmody,L.,2013.Carbonate melts and carbonatites.Reviews Mineral Geochem,75:289-322.
5.Walter,M.J.,Kohn,S.C.,Araujo,D.,Bulanova,G.P.,Smith,C.B.,Gaillou,E.,Wang,J.,Steele,A.,Shirey,S.B.,2011.Deep mantle cycling of oceanic crust:Evidence from diamonds and their mineral inclusions.Science 334,54-57.
6.Litasov,K.D.,Goncharov,A.F.,Hemley,R.J.,2011.Crossover from melting to dissociation of CO2 under pressure:Implications for the lower mantle.Earth Planet Sc Lett 309,318-323.
7.Frost,D.J.,Mc Cammon,C.A.,2008.The redox state of Earth's mantle.Annu Rev Earth Pl Sc 36,389-420.
8.Bayarjargal,L.,Shumilova,T.G.,Friedrich,A.,Winkler,B.,2010.Diamond formation from CaCO3 at high pressure and temperature.Eur J Mineral 22,29-34.
9.Gaillard,F.,Malki,M.,Iacono-Marziano,G.,Pichavant,M.,Scaillet,B.,2008.Carbonatite Melts and Electrical Conductivity in the Asthenosphere.Science 322,1363-1365.
10.Luth,R.W.,1999.Carbon and carbonates in the mantle,in:Fei,Y.W.,Bertka,C.M.,Mysen,B.O.(Eds.),Mantle Petrology:Field Observations and High Pressure Experimentation:A Tribute to Francis R.(Joe)Boyd.Geochemical Soc.
11.vander Hilst,R.D.,Widiyantoro,S.,Engdahl,E.R.,1997.Evidence for deep mantle circulation from global tomography.Nature 386,578-584.
12.Brenker,F.E.,Vollmer,C.,Vincze,L.,Vekemans,B.,Szymanski,A.,Janssens,K.,Szaloki,I.,Nasdala,L.,Joswig,W.,Kaminsky,F.,2007.Carbonates from the lower part of transition zone or even the lower mantle.Earth Planet Sc Lett 260,1-9.
13.Zhang,Z.G.and Liu,Z.R.,2015.High pressure equation of state for molten CaCO3 from first principles simulations.Chin J Geochem,34:13-20.
14.Liu,Q.,Tenner,T.J.,Lange,R.A.,2007.Do carbonate liquids become denser than silicate liquids at pressure?Constraints from the fusion curve of K2CO3 to 3.2 GPa.Contrib Mineral Petr 153,55-66.
15.Oganov,A.R.,Glass,C.W.,Ono,S.,2006.High-pressure phases of CaCO3:Crystal structure prediction and experiment.Earth Planet Sc Lett 241,95-103.
16.Merlini,M.,Hanfland,M.,Crichton,W.A.,2012.CaCO3-Ⅲ and CaCO3-Ⅵ,high-pressure polymorphs of calcite:Possible host structures for carbon in the Earth's mantle.Earth Planet Sc Lett 333,265-271.
2.Shcheka,S.S.,Wiedenbeck,M.,Frost,D.J.,Keppler,H.,2006.Carbon solubility in mantle minerals.Earth Planet Sc Lett 245,730-742.
3.Dasgupta,R.,Hirschmann,M.M.,2010.The deep carbon cycle and melting in Earth's interior.Earth Planet Sc Lett 298,1-13.
4.Jones,A.P.,Genge,M.,Carmody,L.,2013.Carbonate melts and carbonatites.Reviews Mineral Geochem,75:289-322.
5.Walter,M.J.,Kohn,S.C.,Araujo,D.,Bulanova,G.P.,Smith,C.B.,Gaillou,E.,Wang,J.,Steele,A.,Shirey,S.B.,2011.Deep mantle cycling of oceanic crust:Evidence from diamonds and their mineral inclusions.Science 334,54-57.
6.Litasov,K.D.,Goncharov,A.F.,Hemley,R.J.,2011.Crossover from melting to dissociation of CO2 under pressure:Implications for the lower mantle.Earth Planet Sc Lett 309,318-323.
7.Frost,D.J.,Mc Cammon,C.A.,2008.The redox state of Earth's mantle.Annu Rev Earth Pl Sc 36,389-420.
8.Bayarjargal,L.,Shumilova,T.G.,Friedrich,A.,Winkler,B.,2010.Diamond formation from CaCO3 at high pressure and temperature.Eur J Mineral 22,29-34.
9.Gaillard,F.,Malki,M.,Iacono-Marziano,G.,Pichavant,M.,Scaillet,B.,2008.Carbonatite Melts and Electrical Conductivity in the Asthenosphere.Science 322,1363-1365.
10.Luth,R.W.,1999.Carbon and carbonates in the mantle,in:Fei,Y.W.,Bertka,C.M.,Mysen,B.O.(Eds.),Mantle Petrology:Field Observations and High Pressure Experimentation:A Tribute to Francis R.(Joe)Boyd.Geochemical Soc.
11.vander Hilst,R.D.,Widiyantoro,S.,Engdahl,E.R.,1997.Evidence for deep mantle circulation from global tomography.Nature 386,578-584.
12.Brenker,F.E.,Vollmer,C.,Vincze,L.,Vekemans,B.,Szymanski,A.,Janssens,K.,Szaloki,I.,Nasdala,L.,Joswig,W.,Kaminsky,F.,2007.Carbonates from the lower part of transition zone or even the lower mantle.Earth Planet Sc Lett 260,1-9.
13.Zhang,Z.G.and Liu,Z.R.,2015.High pressure equation of state for molten CaCO3 from first principles simulations.Chin J Geochem,34:13-20.
14.Liu,Q.,Tenner,T.J.,Lange,R.A.,2007.Do carbonate liquids become denser than silicate liquids at pressure?Constraints from the fusion curve of K2CO3 to 3.2 GPa.Contrib Mineral Petr 153,55-66.
15.Oganov,A.R.,Glass,C.W.,Ono,S.,2006.High-pressure phases of CaCO3:Crystal structure prediction and experiment.Earth Planet Sc Lett 241,95-103.
16.Merlini,M.,Hanfland,M.,Crichton,W.A.,2012.CaCO3-Ⅲ and CaCO3-Ⅵ,high-pressure polymorphs of calcite:Possible host structures for carbon in the Earth's mantle.Earth Planet Sc Lett 333,265-271.