On the theoretical calculations of oxygen isotope fractionation factors for carbonate-water systems
On the theoretical calculations of oxygen isotope fractionation factors for carbonate-water systems
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DOI：
10.2343/geochemj.1.0125
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发表时间：
2011-08
影响因子：
0.8
通讯作者：
Yong‐Fei Zheng
中科院分区：
文献类型：
--
作者：
Yong‐Fei Zheng
341共存平衡相之间的18O/16O分馏，稳定同位素分馏系数的实验校准通常被认为是地热和地球化学应用中必不可少的(例如，O‘Neil，1986年；Clayton和Kieffer，1991年；Chacko等人，2001年；Zeebe，2009年)。通过统计机制方法对分馏系数进行理论计算对于固相来说是困难的，因为它们需要许多简化的假设，即结果是不同程度的近似(例如，Bottinga，1968；Kawabe，1978；Kieffer，1982；Chacko等人，1991；Patel等人，1991；Schauble等人，2006；Chacko和Deines，2008)。因此，这种计算通常被认为对结晶矿物是不成功的(O‘Neil，1986)。因此，同位素地球化学家在上个世纪受到了挑战，他们用晶体矿物的经典方法精确计算稳定的同位素分馏系数。另一方面，具有地球化学意义的结晶矿物的氧同位素分馏因子对碳酸盐-水体系的氧同位素分馏因子的理论计算也有影响。
341 18O/16O fractionations between coexisting equilibrium phases, experimental calibrations of stable isotope fractionation factors are generally considered essential for geothermetric and geochemical applications (e.g., O’Neil, 1986; Clayton and Kieffer, 1991; Chacko et al., 2001; Zeebe, 2009). Theoretical calculations of fractionation factors by means of statistico-mechanism methods were difficult for solid phases because they require many simplified assumptions that the results are variable degrees of approximations (e.g., Bottinga, 1968; Kawabe, 1978; Kieffer, 1982; Chacko et al., 1991; Patel et al., 1991; Schauble et al., 2006; Chacko and Deines, 2008). As a consequence, such calculations were generally considered unsuccessful to crystalline minerals (O’Neil, 1986). Thus isotope geochemists had been challenged in the last century by the accurate calculation of stable isotope fractionation factors by the classic approach for crystalline minerals. On the other hand, oxygen isotope fractionation factors for crystalline minerals of geochemical interest have On the theoretical calculations of oxygen isotope fractionation factors for carbonate-water systems