VESIcal Part I: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts
VESIcal Part I: An open-source thermodynamic model engine for mixed volatile (H2O-CO2) solubility in silicate melts
复制标题
VESIcal 第 I 部分：硅酸盐熔体中混合挥发物 (H2O-CO2) 溶解度的开源热力学模型引擎
DOI：
10.31223/x5d606
复制
发表时间：
2020
影响因子：
3.1
通讯作者：
F. Bégué
中科院分区：
文献类型：
--
作者：
K. Iacovino;S. Matthews;P. Wieser;G. Moore;F. Bégué
16几十年来，热力学一直是地质数据解释和地质系统建模的基础。然而，最近在计算能力方面的进步和研究人员对计算工具的可访问性的显著增加已经超过了当前20种可用建模工具的功能和可扩展性。在这里，我们介绍VESIcal（挥发性平衡和饱和度识别计算器）：第一个用于硅酸盐熔体中H2O，22 CO2和混合（H2O-CO2）溶解度的综合建模工具：a）允许用户访问七个最流行的模型，以及24个模型之间的轻松比较; B）为所有模型提供通用功能（例如，用于计算饱和压力、排气路径等的功能）; C）可以处理大型数据集26（1，000个样本）自动; d）可以将计算数据输出到Ex 27 cel电子表格或CSV文件中，以进行简单的建模后分析; e）直接在工具中集成绘图功能;以及f）在Python库的框架内提供所有这些，使该工具可由用户扩展，并允许将任何模型函数合并到能够调用Python的任何其他代码中。该工具在这篇手稿中介绍，这是一个包含33个技能水平的Python用户可以访问的工作示例的32个笔记本。VESIcal的基本功能也可以经由网络应用34（https：//www.example.com）访问。vesical.anvil.app VESIcal python库是开源的，可从https://github.com/kaylai/VESIcal下载。地质学家使用数值模型来了解和预测火山在储存（喷发前）、喷发以及释放到地球和其他行星大气中的火山气体的成分和数量。大多数模型是通过对有限的数据集执行实验并创建应用于该数据集的模型41来制作的。一些模型将许多这些单独的模型42联合收割机组合以形成可应用于许多不同火山的通用模型。这些不同的模型中有许多存在，它们都有特定的用途，限制和陷阱。44在这里，我们介绍第一个工具，VESIcal，它作为一个简单的接口，可以连接到7个45最常用的模型。VESIcal是用python编写的，因此用户可以将46 VESIcal用作应用程序或将其包含在自己的模型中。VESIcal是第一个工具47，它允许地质学家自动模拟数千个数据点，并提供48一个简单的平台，以前所未有的方式比较不同模型的结果。50
16 Thermodynamics has been fundamental to the interpretation of geologic data and 17 modeling of geologic systems for decades. However, more recent advancements 18 in computational capabilities and a marked increase in researchers’ accessibility 19 to computing tools has outpaced the functionality and extensibility of currently 20 available modeling tools. Here we present VESIcal (Volatile Equilibria and Satu21 ration Identification calculator): the first comprehensive modeling tool for H2O, 22 CO2, and mixed (H2O-CO2) solubility in silicate melts that: a) allows users ac23 cess to seven of the most popular models, plus easy inter-comparison between 24 models; b) provides universal functionality for all models (e.g., functions for cal25 culating saturation pressures, degassing paths, etc.); c) can process large datasets 26 (1,000’s of samples) automatically; d) can output computed data into an Ex27 cel spreadsheet or CSV file for simple post-modeling analysis; e) integrates plot28 ting capabilities directly within the tool; and f) provides all of these within the 29 framework of a python library, making the tool extensible by the user and allow30 ing any of the model functions to be incorporated into any other code capable of 31 calling python. The tool is presented within this manuscript, which is a Jupyter 32 notebook containing worked examples accessible to python users with a range of 33 skill levels. The basic functions of VESIcal can also be accessed via a web app 34 (https://vesical.anvil.app). The VESIcal python library is open-source and 35 available for download at https://github.com/kaylai/VESIcal. 36 Plain Language Summary 37 Geologists use numerical models to understand and predict how volcanoes be38 have during storage (pre-eruption), eruption, and the composition and amount of 39 volcanic gas released into the atmosphere of Earth and other planets. Most mod40 els are made by performing experiments on a limited dataset and creating a model 41 that applies to that dataset. Some models combine lots of these individual models 42 to make a generalized model that can apply to lots of di↵erent volcanoes. Many of 43 these di↵erent models exist, and they all have specific uses, limitations, and pitfalls. 44 Here we present the first tool, VESIcal, which acts as a simple interface to seven 45 of the most commonly used models. VESIcal is written in python, so users can use 46 VESIcal as an application or include it in their own models. VESIcal is the first tool 47 that allows geologists to model thousands of data points automatically and provides 48 a simple platform to compare results from di↵erent models in a way never before 49 possible. 50
影响因子：
3.5
作者：
Allison, Chelsea M.;Roggensack, Kurt;Clarke, Amanda B.
通讯作者：
Clarke, Amanda B.
影响因子：
5
作者：
J. Tucker;E. Hauri;A. Pietruszka;Michael O. Garcia;J. Marske;F. Trusdell
通讯作者：
J. Tucker;E. Hauri;A. Pietruszka;Michael O. Garcia;J. Marske;F. Trusdell