基于DEW模型的地球深部流体组成与水岩相互作用计算方法综述

doi:10.13745/j.esf.sf.2023.12.20

摘要/Abstract

摘要：

水岩相互作用会导致流体中元素的价态、赋存形式等发生改变,进而对元素的富集成矿、循环通量等产生影响。由于地球深部样品与实验数据有限,建立和使用地球深部流体模型可以有效地增加人们对深部流体及水岩相互作用的认知。Deep Earth Water(DEW)模型是一种描述地球深部流体热力学性质的数据库,其可以与矿物热力学数据库联用,实现对地球深部水岩相互作用过程的模拟研究。本文阐释了使用DEW模型描述深部流体的必要性,叙述了应用DEW模型进行深部流体物种和水岩相互作用计算的基本原理,介绍了一种基于DEW模型计算流体物种的软件——FluidsLab,列举了地球深部流体以及水岩相互作用的应用案例与研究现状,最后对DEW模型后续的应用与发展方向进行展望。

关键词: 水岩相互作用, 俯冲带, 地球深部流体, 热力学, DEW模型

Abstract:

Water-rock interactions can lead to changes in the valency and chemical form of elements in fluids and thereby affect the enrichment and mineralization of elements as well as their cycling fluxes. Due to limited availability of deep Earth samples and experimental data, establishing and utilizing models of deep aqueous fluids can effectively enhance our understanding of water-rock interactions in deep Earth. The Deep Earth Water (DEW) model is a database used to describe the thermodynamic properties of aqueous species in deep aqueous fluids, and it can be used together with mineral thermodynamic databases for modeling water-rock interactions in deep Earth. In this review, we discuss the necessity of using the DEW model to describe deep aqueous fluids. We first describe the basic principles of using the DEW model to calculate aqueous species in deep fluids resulting from water-rock interactions in deep Earth. We then introduce “FluidsLab”, a software we developed to calculate aqueous species, and summarize applications of the DEW model in deep Earth researches. Finally we discuss future application of the DEW model and its development directions.

Key words: water-rock interaction, subduction zones, deep Earth fluids, thermodynamic model, DEW model

中图分类号:

P592

兰春元, 张立飞, 陶仁彪, 胡晗, 张丽娟, 王超. 基于DEW模型的地球深部流体组成与水岩相互作用计算方法综述[J]. 地学前缘, 2024, 31(1): 64-76.

LAN Chunyuan, ZHANG Lifei, TAO Renbiao, HU Han, ZHANG Lijuan, WANG Chao. Calculation methods for fluid composition and water-rock interaction in the deep Earth based on DEW model—a review[J]. Earth Science Frontiers, 2024, 31(1): 64-76.

图/表 6

图1 水岩相互作用机理

Fig.1 Mechanism of water-rock interaction

表1 元素与其对应的基本流体物种

Table 1 Elements and their corresponding basic fluid species

元素	基本流体物种
Na	Na⁺
K	K⁺
Mg	Mg²⁺
Ca	Ca²⁺
Al	Al³⁺
Si	Si(OH)₄
Fe	Fe²⁺
C	$CO 3 2 -$
H	H⁺

表1 元素与其对应的基本流体物种

Table 1 Elements and their corresponding basic fluid species

元素	基本流体物种
Na	Na⁺
K	K⁺
Mg	Mg²⁺
Ca	Ca²⁺
Al	Al³⁺
Si	Si(OH)₄
Fe	Fe²⁺
C	$CO 3 2 -$
H	H⁺

表2 不同元素对应的离子对流体物种

Table 2 Ionic pairs of fluid species corresponding to each element

元素	离子对流体物种
Na	Na(OH)⁰
K	K(OH)⁰
Mg	Mg(OH)⁺,MgH $CO 3 +$ ,Mg $CO 30$ ,MgOSi(OH $) 3 +$
Ca	Ca(OH)⁺, Ca $CO 30$
Al	Al(OH $) 3 +$ , Al(OH $) 4 -$
Si	Si₂O(OH $) 60$
Fe	Fe(OH)⁺, Fe(OH $) 20$ , Fe(OH $) 3 -$
C	$CO 20$ , $HCO 3 -$ , H₂ $CO 30$ , HCOOH⁰, HCOO^-, CH₃COOH⁰, CH₃COO^-, $CH 40$ , C₂ $H 60$
H	OH^-

表2 不同元素对应的离子对流体物种

Table 2 Ionic pairs of fluid species corresponding to each element

元素	离子对流体物种
Na	Na(OH)⁰
K	K(OH)⁰
Mg	Mg(OH)⁺,MgH $CO 3 +$ ,Mg $CO 30$ ,MgOSi(OH $) 3 +$
Ca	Ca(OH)⁺, Ca $CO 30$
Al	Al(OH $) 3 +$ , Al(OH $) 4 -$
Si	Si₂O(OH $) 60$
Fe	Fe(OH)⁺, Fe(OH $) 20$ , Fe(OH $) 3 -$
C	$CO 20$ , $HCO 3 -$ , H₂ $CO 30$ , HCOOH⁰, HCOO^-, CH₃COOH⁰, CH₃COO^-, $CH 40$ , C₂ $H 60$
H	OH^-

图2 矿物溶解沉淀法计算流程图

Fig.2 Workflow diagram for calculating aqueous species using mineral dissolution-precipitation method

图3 FluidsLab_FE的主操作界面

Fig.3 FluidsLab_FE main operation interface

图4 (A)在5 GPa、600 ℃条件下,富水流体中碳元素的存在形式随着pH与log f O 2的变化;(B)乙酸根离子的浓度(mol/L)的对数值随着pH与log f O 2的变化[2]

Fig.4 Deep-Earth carbon. (A) 3D plots showing the effects of pH and oxygen fugacity on the concentration of carbon species under 5 GPa and 600 ℃. (B) pH-log f O 2 diagram showing the stability field of acetate in deep Earth (adapted from [2]).

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