Amalgamation of Thermodynamic Screening and Process Simulation: A Promising Approach for Deep Eutectic Solvent Selection for Natural Gas Sweetening

IF 3.8 3区 工程技术 Q2 ENGINEERING, CHEMICAL Industrial & Engineering Chemistry Research Pub Date : 2024-11-01 DOI:10.1021/acs.iecr.4c0237610.1021/acs.iecr.4c02376
Rohan C. Thota,  and , Debashis Kundu*, 
{"title":"Amalgamation of Thermodynamic Screening and Process Simulation: A Promising Approach for Deep Eutectic Solvent Selection for Natural Gas Sweetening","authors":"Rohan C. Thota,&nbsp; and ,&nbsp;Debashis Kundu*,&nbsp;","doi":"10.1021/acs.iecr.4c0237610.1021/acs.iecr.4c02376","DOIUrl":null,"url":null,"abstract":"<p >The selection of efficient deep eutectic solvents (DESs) for simultaneous extraction of carbon dioxide (CO<sub>2</sub>) and hydrogen sulfide (H<sub>2</sub>S) as well as purification of methane (CH<sub>4</sub>) from raw natural gas (NG), a multilevel screening method, is proposed. This method integrates Henry’s law constant (H) and vapor–liquid equilibrium (VLE)-based thermodynamic models, critical property estimation, and process simulation. Initially, the H-absorption selectivity desorption index (H-ASDI) screens potential DESs under infinite dilution conditions by estimating the infinite dilution activity coefficient to assess their target properties. Subsequently, their performance is evaluated using the VLE of {DES + NG} systems at specific compositions (1:1, 2:1, 3:1, and 4:1). Shortlisted DESs, identified through the VLE-based ASDI′, are further assessed in a conceptual NG sweetening process flow sheet to determine the best DES. After validating shortlisted DESs through process simulation, key physical properties are analyzed and compared to deduce their suitability for CO<sub>2</sub> and H<sub>2</sub>S removal for practical applications in industries. This multilevel approach ensures thorough assessment and selection of DESs with optimal CO<sub>2</sub> and H<sub>2</sub>S extraction capabilities, which are crucial for efficient gas sweetening processes in industrial applications.</p>","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"63 45","pages":"19818–19831 19818–19831"},"PeriodicalIF":3.8000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Industrial & Engineering Chemistry Research","FirstCategoryId":"5","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.iecr.4c02376","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0

Abstract

The selection of efficient deep eutectic solvents (DESs) for simultaneous extraction of carbon dioxide (CO2) and hydrogen sulfide (H2S) as well as purification of methane (CH4) from raw natural gas (NG), a multilevel screening method, is proposed. This method integrates Henry’s law constant (H) and vapor–liquid equilibrium (VLE)-based thermodynamic models, critical property estimation, and process simulation. Initially, the H-absorption selectivity desorption index (H-ASDI) screens potential DESs under infinite dilution conditions by estimating the infinite dilution activity coefficient to assess their target properties. Subsequently, their performance is evaluated using the VLE of {DES + NG} systems at specific compositions (1:1, 2:1, 3:1, and 4:1). Shortlisted DESs, identified through the VLE-based ASDI′, are further assessed in a conceptual NG sweetening process flow sheet to determine the best DES. After validating shortlisted DESs through process simulation, key physical properties are analyzed and compared to deduce their suitability for CO2 and H2S removal for practical applications in industries. This multilevel approach ensures thorough assessment and selection of DESs with optimal CO2 and H2S extraction capabilities, which are crucial for efficient gas sweetening processes in industrial applications.

Abstract Image

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
热力学筛选与工艺模拟的结合:为天然气增甜选择深共晶溶剂的有效方法
本研究提出了一种多层次筛选方法,用于选择高效的深共晶溶剂(DES),以同时萃取二氧化碳(CO2)和硫化氢(H2S),并从天然气(NG)原料中提纯甲烷(CH4)。该方法整合了亨利定律常数 (H) 和基于汽液平衡 (VLE) 的热力学模型、关键属性估计和过程模拟。首先,H-吸收选择性解吸指数(H-ASDI)通过估算无限稀释活性系数来筛选无限稀释条件下的潜在 DES,以评估其目标特性。随后,使用特定成分(1:1、2:1、3:1 和 4:1)下{DES + NG}系统的 VLE 对其性能进行评估。通过基于 VLE 的 ASDI′ 确定的入围 DES 在概念性 NG 甜化工艺流程表中进行进一步评估,以确定最佳 DES。通过工艺模拟验证入围的 DES 后,对其关键物理性质进行分析和比较,以推断其在工业实际应用中去除 CO2 和 H2S 的适用性。这种多层次方法可确保全面评估和选择具有最佳二氧化碳和 H2S 萃取能力的 DES,这对于工业应用中的高效气体甜化工艺至关重要。
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
Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research 工程技术-工程:化工
CiteScore
7.40
自引率
7.10%
发文量
1467
审稿时长
2.8 months
期刊介绍: ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.
期刊最新文献
Multifaceted Roles of Additives in Regulating Crystal Growth: A Case of Acephate Graph-Based Modeling and Molecular Dynamics for Ion Activity Coefficient Prediction in Polymeric Ion-Exchange Membranes Study on the Thermal Behavior of Mixtures of Ammonium Nitrate and Micronutrient Chelates with Potential toward Enhancing the Efficiency of Precision Agriculture Macro-microreactor-Based Process Intensification for Achievement of High-Mixing-Performance, Low-Pressure-Drop, and High-Throughput Liquid–Liquid Homogeneous Chemical Processes Enhancing Reactive Microemulsion Processes: Dynamic Optimization and Cyclic Semibatch Operation for the Reductive Amination of Undecanal in a Mini-Plant
×
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:481959085
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