A robust setup for efficient characterization of multicomponent vapor-liquid equilibria using Raman spectroscopy

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Fluid Phase Equilibria Pub Date : 2025-01-19 DOI:10.1016/j.fluid.2025.114344

Marvin Kasterke, Leo Bahr, Hans-Jürgen Koß, Thorsten Brands

{"title":"A robust setup for efficient characterization of multicomponent vapor-liquid equilibria using Raman spectroscopy","authors":"Marvin Kasterke, Leo Bahr, Hans-Jürgen Koß, Thorsten Brands","doi":"10.1016/j.fluid.2025.114344","DOIUrl":null,"url":null,"abstract":"<div><div>Vapor-liquid equilibrium (VLE), a crucial thermodynamic property in diverse industrial processes, assumes paramount significance in the development, optimization, and operation of separation processes and various applications. Despite their central role, large sample volumes, long measurement times and the handling of the apparatus are a challenge for the precise determination of VLE data. In response to these challenges, we present an innovative Raman spectroscopy-based measurement setup that enables fast, accurate and user-friendly characterization of VLE. The application of Raman spectroscopy enables non-invasive analysis of vapor and liquid-phases in small sample volumes (<3 ml) for multiple VLE data points. The usage of a compact isothermal VLE measurement cell ensures rapid and reliable VLE control. The combination of the equilibrium cell with a highly confocal fiber-coupled Raman probe in backscattering configuration and a high-throughput spectrometer establishes an efficient setup for quantifying VLE data in a broad range of conditions. The setup has been validated for vapor pressure curves of methyl tert‑butyl ether (MTBE), isooctane (2,2,4-trimethylpentane) and cyclohexane for a temperature range of 283.15 K to 333.15 K and the measurement of the binary VLE MTBE-isooctane at 318 .15K. the setup allows a highly efficient access to VLE data of industrial relevance.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"594 ","pages":"Article 114344"},"PeriodicalIF":2.8000,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fluid Phase Equilibria","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378381225000159","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Vapor-liquid equilibrium (VLE), a crucial thermodynamic property in diverse industrial processes, assumes paramount significance in the development, optimization, and operation of separation processes and various applications. Despite their central role, large sample volumes, long measurement times and the handling of the apparatus are a challenge for the precise determination of VLE data. In response to these challenges, we present an innovative Raman spectroscopy-based measurement setup that enables fast, accurate and user-friendly characterization of VLE. The application of Raman spectroscopy enables non-invasive analysis of vapor and liquid-phases in small sample volumes (<3 ml) for multiple VLE data points. The usage of a compact isothermal VLE measurement cell ensures rapid and reliable VLE control. The combination of the equilibrium cell with a highly confocal fiber-coupled Raman probe in backscattering configuration and a high-throughput spectrometer establishes an efficient setup for quantifying VLE data in a broad range of conditions. The setup has been validated for vapor pressure curves of methyl tert‑butyl ether (MTBE), isooctane (2,2,4-trimethylpentane) and cyclohexane for a temperature range of 283.15 K to 333.15 K and the measurement of the binary VLE MTBE-isooctane at 318 .15K. the setup allows a highly efficient access to VLE data of industrial relevance.

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.