Separation of Low-Molecular Organic Compounds from Complex Aqueous Mixtures by Extraction

1990 ◽  
pp. 238-244 ◽  
Author(s):  
K. Schügerl ◽  
W. Degener ◽  
P. v. Frieling ◽  
L. Handojo ◽  
I. Kirgios
Keyword(s):  
Organic Compounds ◽  
Aqueous Mixtures

scholarly journals Modeling the surface tension of complex, reactive organic–inorganic mixtures

2013 ◽  
Vol 13 (21) ◽  
pp. 10721-10732 ◽  
Author(s):  
A. N. Schwier ◽  
G. A. Viglione ◽  
Z. Li ◽  
V. Faye McNeill
Keyword(s):  
Surface Tension ◽  
Organic Compounds ◽  
Atmospheric Aerosols ◽  
Goodness Of Fit ◽  
Cloud Droplet ◽  
Aqueous Mixtures ◽  
Surface Tension Data ◽  
Inorganic Systems ◽  
Experimental Surface ◽  
Using Data

Abstract. Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic–inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2–6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski–Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic–inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

scholarly journals New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

2011 ◽  
Vol 11 (17) ◽  
pp. 9155-9206 ◽  
Author(s):  
A. Zuend ◽  
C. Marcolli ◽  
A. M. Booth ◽  
D. M. Lienhard ◽  
V. Soonsin ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Functional Groups ◽  
Organic Compounds ◽  
Activity Coefficients ◽  
Atmospheric Aerosols ◽  
Atmospheric Chemistry ◽  
Inorganic Ions ◽  
Aqueous Mixtures ◽  
Organic Functional Groups ◽  
Ether Ester

Abstract. We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl−, Br−, NO3−, HSO4−, and SO42−. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of experimental datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodynamic tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atmospheric chemistry or in other scientific fields.

scholarly journals Pervaporation of organic compounds from aqueous mixtures using polydimethylsiloxane-containing block copolymer membranes

AIChE Journal ◽  
2015 ◽  
Vol 61 (9) ◽  
pp. 2789-2794 ◽  
Author(s):  
Douglas R. Greer ◽  
A. Evren Ozcam ◽  
Nitash P. Balsara
Keyword(s):  
Block Copolymer ◽  
Organic Compounds ◽  
Aqueous Mixtures

scholarly journals A sustainable filtering material for efficient removal of volatile organic compounds from their aqueous mixtures

Cellulose ◽  
2021 ◽  
Author(s):  
Yong Lv ◽  
Xiangju Xi ◽  
Yijiao Xue ◽  
Feng Jiang ◽  
Xianqi Zhu ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Aqueous Mixtures ◽  
Efficient Removal ◽  
Volatile Organic

scholarly journals New and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups

2011 ◽  
Vol 11 (5) ◽  
pp. 15297-15416 ◽  
Author(s):  
A. Zuend ◽  
C. Marcolli ◽  
A. M. Booth ◽  
D. M. Lienhard ◽  
V. Soonsin ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Functional Groups ◽  
Organic Compounds ◽  
Activity Coefficients ◽  
Atmospheric Aerosols ◽  
Atmospheric Chemistry ◽  
Inorganic Ions ◽  
Aqueous Mixtures ◽  
Organic Functional Groups ◽  
Ether Ester

Abstract. We present a new and considerably extended parameterization of the thermodynamic activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature. AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcohols and polyols. With the goal to describe a wide variety of organic compounds found in atmospheric aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alcohol, and aromatic hydrocarbon. Thermodynamic equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H+, Li+, Na+, K+, NH4+, Mg2+, Ca2+, Cl−, Br−, NO3−, HSO4−, and SO42−. Detailed descriptions of different types of thermodynamic data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibria, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of experimental data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of experimental datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodynamic tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atmospheric chemistry or in other scientific fields.

scholarly journals A Sustainable Filtering Material for Efficient Removal of Volatile Organic Compounds From Their Aqueous Mixtures

2021 ◽  
Author(s):  
Yong Lv ◽  
Xiangju Xi ◽  
Yijiao Xue ◽  
Feng Jiang ◽  
Xianqi Zhu ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Electrostatic Interactions ◽  
Separation Efficiency ◽  
Water Flux ◽  
Crosslinking Agent ◽  
Separation Performance ◽  
Aqueous Mixtures ◽  
Self Assembling ◽  
Volatile Organic

Abstract Volatile organic compounds (VOCs) are hazardous to the environment and human health. Thus, tremendous effort has gone into developing effective/efficient techniques for VOCs separation from their aqueous mixtures. In this work, a simple and versatile strategy was proposed to fabricate a new material for hydrophobic volatile organic compounds (VOCs) separation, in which a self-assembling hydrogel consisting of TEMPO-oxidized cellulose nanofibers (TOCN) and cationic guar gum (CGG) was used. Specifically, TOCN and CGG were deposited onto a filter paper via a layer-by-layer procedure, resulting in a TOCN/CGG hydrogel-coated filtering material, in which no crosslinking agent was used. The hydrogel is spontaneously formed by electrostatic interactions and hydrogen bonding. The as-prepared filtering material exhibits oil-repellence and underwater oleophobicity resulting from the formation of hydration layer on hydrogel, thus demonstrating good VOCs separation performance. One-layer of TOCN/CGG hydrogel coating (dried mass of 0.032 g·m-2) was proved to realize the VOCs separation (separation efficiency of around 99% and water flux of as high as 905.14 L·m-2·h-1). Further increase of the hydrogel layers has negligible influence on the separation efficiency although it decreases the water flux. This filtering material also exhibits good stability during recycling. Consequently, this TOCN/CGG self-assembling hydrogel-coated filtering material has great potential in VOCs-contaminated wastewater treatment.

scholarly journals Modeling the surface tension of complex, reactive organic-inorganic mixtures

2013 ◽  
Vol 13 (1) ◽  
pp. 549-580 ◽  
Author(s):  
A. N. Schwier ◽  
G. A. Viglione ◽  
Z. Li ◽  
V. F. McNeill
Keyword(s):  
Surface Tension ◽  
Organic Compounds ◽  
Atmospheric Aerosols ◽  
Goodness Of Fit ◽  
Cloud Condensation Nuclei ◽  
Aqueous Mixtures ◽  
Surface Tension Data ◽  
Inorganic Systems ◽  
Experimental Surface ◽  
Using Data

Abstract. Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as cloud condensation nuclei (CCN) ability. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2–6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well-described by a weighted Szyszkowski–Langmuir (S–L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling fits and goodness of fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

17O- and1H-NMR Studies of the Water Structure in Binary Aqueous Mixtures of Halogenated Organic Compounds

1996 ◽  
Vol 100 (24) ◽  
pp. 10310-10315 ◽  
Author(s):  
Kazuko Mizuno ◽  
Kazuya Oda ◽  
Yohji Shindo ◽  
Akiko Okumura
Keyword(s):  
Organic Compounds ◽  
Water Structure ◽  
Aqueous Mixtures ◽  
Nmr Studies ◽  
Halogenated Organic Compounds
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