About ISLEC(关于ISLEC)

  • What is ISLEC?(ISLEC是什么?)

ISLEC (Institute of Salt Lakes Equilibrium Calculator, pronounced /ais'lek/) is a tool for brine-mineral equilibrium simulation with the Calphad approach and a Pitzer-Simonson-Clegg excess Gibbs energy model. Current stable version is 4.1. Try the ISLEC version 4.1 via ISLEC-Web .This software is developed by Dr. Dongdong Li and follows the GNU General Public License Version 3, 29 June 2007. Initially, the software is used to simulate the fractional crystallization of natural salt lake brines at various temperatures for partial fulfillment of the requirements for the degree of PhD. In the software, the Gibbs energy minimization approach is used to solve the solid-liquid equilibria of a multicomponent (indefinite number of component) and multiphase aqueous electrolyte system.  (ISLEC为盐湖研究所平衡计算器英文单词首字母缩写,发音为/ais'lek/。ISLEC是一款基于CALPHAD方法的卤水-矿物平衡模拟计算软件。该软件采用PSC (Pitzer-Simonson-Clegg)超额Gibbs自由能模型对水溶液相的非理想热力学性质进行描述。当前稳定版本为4.1版。您可以通过ISLEC-Web页面进行试用。该软件由李东东博士设计开发,并遵守GNU General Public License Version 3开源版权协议。最初,该软件用于模拟天然盐湖卤水在多温条件下的分步结晶过程,并作为其博士论文工作的一部分。该软件采用Gibbs自由能最小化方法实现多组分多相电解质水溶液体系固-液相平衡求解。)

For ISLEC version 1.0.1 to 3.0.1, a particle swarm algorithm is adopted for Gibbs energy function optimization. (在ISLEC 1.0.1至3.0.1版本中,我们将约束粒子群算法用于Gibbs自由能函数的优化。版本1.X.X基于Pitzer模型,其源代码已经在Sourceforge平台发布。从3.0.1版本开始,引入适用浓度范围更广的Pitzer-Simonson-Clegg模型来描述水溶液相的非理想热力学性质。)

After ISLEC version 4.0, the Ipopt (Interior Point OPTimizer, pronounced “Eye-Pea-Opt”) is introduced to optimize the Gibbs energy function of the system. Since a lot of time and effort has gone into Ipopt's development, please cite the following publication if you are using Ipopt for your own research: A. Wächter and L. T. Biegler, On the Implementation of a Primal-Dual Interior Point Filter Line Search Algorithm for Large-Scale Nonlinear Programming, Mathematical Programming 106(1), pp. 25-57, 2006. (自4.0版本后,采用Ipopt (Interior Point OPTimizer, pronounced “Eye-Pea-Opt”)开源最优化程序库对体系Gibbs自由能函数进行优化。由于Ipopt最优化库的开发花费了开发者大量的时间和精力,在您使用Ipopt或ISLEC相关程序时请引用如下文献: A. Wächter and L. T. Biegler, On the Implementation of a Primal-Dual Interior Point Filter Line Search Algorithm for Large-Scale Nonlinear Programming, Mathematical Programming 106(1), pp. 25-57, 2006. 以表示对Ipopt开发者的感谢。)

  • What can ISLEC Do?(ISLEC能做什么?)

1. Thermodynamic properties calculation for an unsaturated aqueous solution(电解质溶液热力学性质计算)
2. Single point equilibrium calculation for a saturated aqueous solution(等温等压条件下体系单点相平衡)
3. Reaction between two brines in respect to phase equilibria(等温等压条件下两种卤水混合相平衡)
4. Reaction between brine and minerals in respect to phase equilibria(等温等压条件下卤水与矿物作用与平衡)
5. Brine freezing and related phase equilibria simulation(卤水冷冻过程模拟)
6. Brine heating and related phase equilibria simulation(卤水加热过程模拟)
7. Isothermal evaporation simulation of brine (continuous process or fractional process)(卤水等温蒸发模拟)
8. Solid solution-aqueous solution reaction and equilibrium(固溶体-水溶液相平衡计算)
9. Trace element partitioning among aqueous and solid phases(微量元素在卤水和固相中的分配)

很遗憾,ISLEC不会给出包括相图在内的任何图形结果,但是基于ISLEC产生的数值结果,结合任何科学绘图软件(如Excel, Origin,Sigmaplot,Matlab等)可以产生任何形式的图形表达。

  • Finacial Support(基金资助)

The development of ISLEC was supported by the Chinese Academy of Sciences (CAS "Light of West China" Program, Young Scholar B, 2016-2018), National Natural Science Foundation of China, under contract no. 41703064 (Modeling cold aqueous chlorine(chloride and perchlorate) chemistries with applications on Mars, 2018-2020), U1407131 (Phase equilibria in the comprehensive utilization of associated rubidium resources in Qarhan salt lake, 2014-2017) and U1707602  (Development and integration of the thermodynamic modeling for the Qaidam salt lake brine in the scale of full components, full concentration and multi-temperature, 2018-2021). (ISLEC软件系统的开发和模型参数化工作的开展获得了中国科学院(“百人计划”和“西部之光”项目)和国家自然科学基金委(联合基金项目U1407131和U1707602以及青年基金项目41703064)的资助,特此表示感谢。)

  • Mandatory Citation(强制引用)

Any scientific article or book whose results were obtained with the codes described above must properly acknowledge their use by citing the following papers: (任何使用由ISLEC及相关程序产生的结果的工作,包括科学论文、图书、报告和工艺设计方案等,都必须强制引用如下文献)

[1] A. Wächter and L. T. Biegler, On the Implementation of a Primal-Dual Interior Point Filter Line Search Algorithm for Large-Scale Nonlinear Programming, Mathematical Programming 106(1), pp. 25-57, 2006.
[2] Dongdong Li, Dewen Zeng, Xia Yin, ISLEC: Institute of Salt Lakes Equilibrium Calculator, www.islec.net.

  • Disclaimer Statement(免责声明)
  • Disclaimer(免责声明)

ISLEC Software is developed as a tool for scientific research and distributed "as is", in its current state of development. Hence, the ISL and the ISLEC Development Team make no warranty or representation of ISLEC as error free, accurate, complete, or useful for any specific application. ISL and ISLEC Development Team shall not be liable for any claims, demands, liabilities, costs, losses, damages or expenses of any kind caused to or suffered by any person or entity that directly or indirectly arise out or result from the use of the software or in any connection thereof. This information is provided with the understanding that it is not guaranteed to be correct or complete. Any conclusions drawn from such information are in the sole responsibility of the user. (ISLEC软件是用于科学研究的软件,并以当前所能够看到的正在开发中的状态发布。因此,盐湖研究所和ISLEC开发团队不会对其及其产生的结果,包括其中的错误、准确性、完整性和对于特定问题的可用性,提供任何保障。盐湖研究所和ISLEC开发团队对于任何直接或间接由ISLEC程序导致的损失不附有法律责任。我们不也对ISLEC提供的信息的可靠性和完整性提供任何保障。任何由此结果信息产生的结论均应由用户自己负责。)

  • Terms and Conditions of Use​(使用条款)

The ISLEC Software and related material (data and documentation), contained in or furnished in connection with the ISLEC program package for geochemical and chemical engineering modelling, are made available by the Insititute of Salt Lakes (ISL), Chinese Academy of Sciences (CAS) to be used in the public interest and for the advancement of science. Permission to use the ISLEC Software is thereby granted free of charge for educational and academic research purposes only, provided and as long as these Terms and Conditions of Use are accepted. You are not permit to copy, distribute and transmit ISLEC and ISLEC-Web for any commercial purpose. We preserve the right to pursue legal actions. (包含在ISLEC软件中的用于地球化学和化学工程模拟的相关代码、数据和文档由中国科学院青海盐湖研究所ISLEC开发团队提供。ISLEC软件仅限用于教育和科学研究在同意使用条款的前提下。任何人不允许以商业性目的复制、分发和传播ISLEC和ISLEC-Web及相关程序和文档。我们保留对侵犯版权行为诉诸法律的权利。)