Analytic Correlation for the Thermodynamic Properties of Water at Low Temperatures (200-300 K) and High Pressures (0.1-400 MPa).

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry B Pub Date : 2025-02-20 Epub Date: 2025-02-06 DOI:10.1021/acs.jpcb.4c03909
Julia H Grenke, Janet A W Elliott
{"title":"Analytic Correlation for the Thermodynamic Properties of Water at Low Temperatures (200-300 K) and High Pressures (0.1-400 MPa).","authors":"Julia H Grenke, Janet A W Elliott","doi":"10.1021/acs.jpcb.4c03909","DOIUrl":null,"url":null,"abstract":"<p><p>Water is vital to all facets of life and is anomalously behaving in its condensed states, making it continually a substance of interest to researchers. Therefore, attempting to capture its properties via correlations and equations of state is extremely valuable. Liquid water has not been studied as extensively in the low-temperature and high-pressure region as in other regions. Some key applications for correlations in this region are cryopreservation (specifically in certain methods of cryopreservation such as hyperbaric (high-pressure) and isochoric (constant-volume) cryopreservation), deep oceans, hydrospheres, clouds, and precipitation. Although there are not nearly as many models for water at low temperatures and high pressures as there are in other temperature and pressure ranges, there are some models that do currently exist. However, these either do not extend to temperatures and pressures as extreme as the data that exist, or they are complex with large numbers of parameters making them more difficult for application. Herein, we present a new correlation for liquid water valid for the temperature range of 200-300 K (-73-27 °C) and pressure range of 0.1-400 MPa that can analytically calculate volume, isothermal compressibility, isobaric expansivity, constant pressure heat capacity, and speed of sound, using only 17 adjustable parameters. The analytical expressions that we derived, and the fitting method that we used can also be applied to other fluids of interest in the future.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":"1997-2012"},"PeriodicalIF":2.9000,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11849686/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry B","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcb.4c03909","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/6 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

Water is vital to all facets of life and is anomalously behaving in its condensed states, making it continually a substance of interest to researchers. Therefore, attempting to capture its properties via correlations and equations of state is extremely valuable. Liquid water has not been studied as extensively in the low-temperature and high-pressure region as in other regions. Some key applications for correlations in this region are cryopreservation (specifically in certain methods of cryopreservation such as hyperbaric (high-pressure) and isochoric (constant-volume) cryopreservation), deep oceans, hydrospheres, clouds, and precipitation. Although there are not nearly as many models for water at low temperatures and high pressures as there are in other temperature and pressure ranges, there are some models that do currently exist. However, these either do not extend to temperatures and pressures as extreme as the data that exist, or they are complex with large numbers of parameters making them more difficult for application. Herein, we present a new correlation for liquid water valid for the temperature range of 200-300 K (-73-27 °C) and pressure range of 0.1-400 MPa that can analytically calculate volume, isothermal compressibility, isobaric expansivity, constant pressure heat capacity, and speed of sound, using only 17 adjustable parameters. The analytical expressions that we derived, and the fitting method that we used can also be applied to other fluids of interest in the future.

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
低温(200-300 K)高压(0.1-400 MPa)下水热力学性质的解析相关性
水对生命的各个方面都是至关重要的,它在浓缩状态下的行为异常,使它一直是研究人员感兴趣的物质。因此,试图通过相关性和状态方程来捕捉其特性是非常有价值的。液态水在低温高压地区的研究还没有像在其他地区那样广泛。相关性在该地区的一些关键应用是低温保存(特别是某些低温保存方法,如高压和等时压等体积低温保存)、深海、水圈、云和降水。尽管在低温高压下的水的模型并不像在其他温度和压力范围内的那样多,但目前确实存在一些模型。然而,这些要么不能扩展到像现有数据那样极端的温度和压力,要么由于大量参数而变得复杂,使其更难以应用。本文提出了一种适用于温度范围为200-300 K(-73-27℃)、压力范围为0.1-400 MPa的液态水关系式,该关系式仅使用17个可调参数即可解析计算体积、等温压缩率、等压膨胀率、恒压热容和声速。我们推导的解析表达式和我们使用的拟合方法也可以应用于未来其他感兴趣的流体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
期刊最新文献
Issue Publication Information Issue Editorial Masthead Exploring Structural Perturbations Caused by Cancer-Related Mutations in Pyruvate Kinase M2: A Comparison with the Wild-Type Enzyme SRMMP-CharQM, Physics-Informed Deep Learning for Toxicity Prediction: Quantum Mechanical Descriptors Enable Scaffold Hopping in Mitochondrial Membrane Potential Assays Hydrogen-Bond Topology Governs Clustering-Triggered Emission in Non-Conjugated Small Molecules
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1