PTDB : Pitzer Thermochemical Database

This thermochemical database is prepared by BRGM (French geological survey, https://www.brgm.fr).
It is adapted to the PHREESCALE software (Lach et al., 2016) and is regularly updated.
It is devoted to highly saline systems, up to salts solubility, elevated temperatures (for each chemical system, limits are indicated in the database) and pressures.
In addition to chemical reactivity, this database allows calculation of solution properties (water activity, osmotic coefficients, solute activity coefficients, heat capacity, enthalpy, density).

本热化学数据库由法国地质调查局BRGM（官网：https://www.brgm.fr）编制。该数据库适配PHREESCALE软件（Lach等，2016），并定期更新。本数据库面向高盐度体系（最高可达盐类溶解饱和极限）、高温及高压环境，各化学体系的温压限值均在数据库中予以标注。除可计算化学反应特性外，本数据库还支持溶液性质的计算，包括水活度、渗透系数、溶质活度系数、热容、焓及密度。

搜集汇总

背景与挑战

背景概述

PTDB热化学数据库由法国地质调查局（BRGM）开发，专为PHREESCALE软件设计并定期更新。它专注于高盐系统的热化学计算，涵盖从盐溶解度到高温高压条件，并能计算多种溶液性质，如水分活度和热容，适用于地质和化学工程领域。