Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

doi:10.1021/ed083p1065

Cited by 6 publications

(6 citation statements)

References 13 publications

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“…Proton Nuclear Magnetic Resonance Spectroscopy has been utilized for both qualitative and quantitative analyses of organic mixtures [1][2][3][4][5], however, there is a lack of reliable exercises using qNMR with the purpose of educational instruction [6][7][8][9][10][11]. In order to combat this, this experiment has been designed for simple implementation of the qNMR methodology into undergraduate chemistry laboratory curriculums.…”

Section: Introductionmentioning

confidence: 99%

Application of Quantitative Proton Nuclear Magnetic Resonance Spectroscopy for the Compositional Analysis of Short Chain Fatty Acid Benzyl Ester Mixtures

D’Amelia¹,

Kimura²,

Nirode³

2019

WJCE

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Nuclear Magnetic Resonance (NMR) has become one of the cornerstones of instrumental analysis work done in chemistry laboratories. NMR is most powerful when used quantitatively, the technique of using NMR to quantify the concentration of an analyte is referred to as qNMR and proton NMR, in particular, is extremely useful in this pursuit to quantify organic compounds. In order to increase exposure to the quantitative and qualitative aspects of NMR in the undergraduate chemistry laboratory, we have created a qNMR experiment to be used in analytical chemistry and instrumental analysis courses. The objective of the experiment was to determine the % composition of a two-component mixture of benzyl acetate (BA), benzyl propionate (BP), and benzyl butyrate (BB). We report on the methodologies used to determine % BA, BP, and BB. Mixtures ranged from 100% to 20%. The results show a strong linear relationship relating known weight %'s with qNMR weight %'s and serves as confirmation of the quantitative utility of proton NMR as well as an educational tool for the undergraduate chemical laboratory.

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Section: Introductionmentioning

confidence: 99%

Application of Quantitative Proton Nuclear Magnetic Resonance Spectroscopy for the Compositional Analysis of Short Chain Fatty Acid Benzyl Ester Mixtures

D’Amelia¹,

Kimura²,

Nirode³

2019

WJCE

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“…Although proton nuclear magnetic resonance ( 1 H NMR) spectroscopy is utilized for both qualitative and quantitative analyses of organic mixtures [1,2,3,4], there is a relatively limited number of quantitative experiments that can also be used as instructional exercises for undergraduate students [5,6,7,8,9]. The following 1 H NMR experiment was designed to support implementation of qualitative and quantitative NMR methodology in the undergraduate chemistry laboratory curriculum.…”

Section: Introductionmentioning

confidence: 99%

Application of <SUP>1</SUP>H-NMR for the Quantitative Analysis of Short Chain Fatty Acid Methyl Ester Mixtures: An Undergraduate Instrumental Analysis Experiment

D’Amelia¹,

Huang²,

Nirode³

et al. 2015

WJCE

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Nuclear magnetic resonance spectroscopy (NMR) is one of the most important instrumental techniques used to elucidate the molecular structure of organic compounds. However, there are not many good simple applications of using NMR for the quantitative assay of impure or mixtures of organic substances. The current experiment was developed as part of an ongoing effort to increase exposure to quantitative proton NMR methodology in the undergraduate chemistry laboratory curriculum. The objective of the experiment is to determine the percent composition of a two component mixture of short chain fatty acid methyl esters using chemical shift and integration values obtained from running solvent-less samples both with and without an internal reference standard. We report on the experimental methods and results obtained from examining the quantitative NMR properties of a series of mixtures of methyl acetate (M.A.) and methyl propionate (M.P.) solutions ranging from 100% MA to 100% MP. Also similar data was obtained for the MA -methyl butyrate (MB) pair. The results exhibit a linear relationship of the percent composition of the methyl acetate binary mixtures found by proton NMR with the theoretical (i.e. samples prepared based on measured weights) percent compositions. The experiment confirms the quantitative usage of 1 H NMR and serves as an educational tool for the undergraduate chemical laboratory.

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“…There is an increasing tendency to employ modern experimental techniques to supplement traditional experiments. For instance, spectroscopic determination, including nuclear magnetic resonance (NMR) spectroscopy, UV–visible spectroscopy, and steady-state fluorescence, were studied as a modern acquisition of the classic ternary phase diagrams. − Agreement with data from the titration method confirmed the validity of the spectroscopy method. Since the binary/ternary phase diagram is usually placed in the part of thermodynamics experiment, isothermal titration microcalorimetry (ITC) is therefore used here to expand its application in physical chemistry experiment teaching.…”

Section: Introductionmentioning

confidence: 97%

Determining the Ternary Phase Diagram of Benzene–Acetic Acid–Water Using Isothermal Titration Microcalorimetry to Train Upper-Level Undergraduates in Advanced Calorimetry Methods

et al. 2020

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A new method to determine a ternary phase diagram of benzene–acetic acid–water system is provided to upper-division undergraduate students. The partially miscible liquid phase region can be accurately constructed using isothermal titration microcalorimetry (ITC). Compared with the traditional visual method, ITC can provide precise data and more information about the dissolution process despite the expensive instrument and the long titration time. This experiment can be conditionally incorporated into a physical chemistry laboratory curriculum as a modern acquisition of a classic ternary phase diagram.

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Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

Cited by 6 publications

References 13 publications

Application of Quantitative Proton Nuclear Magnetic Resonance Spectroscopy for the Compositional Analysis of Short Chain Fatty Acid Benzyl Ester Mixtures

Application of Quantitative Proton Nuclear Magnetic Resonance Spectroscopy for the Compositional Analysis of Short Chain Fatty Acid Benzyl Ester Mixtures

Application of <SUP>1</SUP>H-NMR for the Quantitative Analysis of Short Chain Fatty Acid Methyl Ester Mixtures: An Undergraduate Instrumental Analysis Experiment

Determining the Ternary Phase Diagram of Benzene–Acetic Acid–Water Using Isothermal Titration Microcalorimetry to Train Upper-Level Undergraduates in Advanced Calorimetry Methods

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