Algorithmic modifications extending MELTS to calculate subsolidus phase relations
Algorithmic modifications extending MELTS to calculate subsolidus phase relations
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DOI：
10.2138/am-1998-9-1022
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发表时间：
1998-10
影响因子：
3.1
通讯作者：
P. Asimow;M. Ghiorso
中科院分区：
文献类型：
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作者：
P. Asimow;M. Ghiorso
摘要提出了对熔体软件包的算法修改，以便在底固相线中进行非均相相平衡的计算。提出了以下方法：(1)选择满足总体组成约束的“初始猜测组合”；(2)检测组合中新相(包括液体)的饱和度；(3)在不调整体系整体组成的情况下向组合中添加和移除相；以及(4)将组合约束到固定的fo₂。这些方法被添加到熔体中，使其能够计算有或没有液体、封闭或开放于O的非均相相平衡，以及固定的强化变量(P，T)、(P，S)、(P，H)或(V，T)。应用包括熔化分数计算、变质相平衡和地球固相线下区域的地球物理模型。
Abstract Algorithmic modifications to the MELTS software package are presented in order that calculations of heterogeneous phase equilibria can be performed in the subsolidus. Methods are presented for: (1) selecting an ‘‘initial guess assemblage’’ that satisfies the bulk composition constraints; (2) detecting saturation of new phases (including liquid) in an assemblage; (3) adding and removing phases from the assemblage without adjusting the system bulk composition; and (4) constraining the assemblage to a fixed fO₂ . These methods have been added to MELTS, allowing it to calculate heterogeneous phase equilibria with or without liquid, closed or open to O, and with fixed intensive variables (P,T), (P,S), (P,H), or (V,T). Applications include fractional melting calculations, metamorphic phase equilibria, and geophysical models of subsolidus regions of the Earth.