High‐resolution GC/MS studies of a light crude oil fraction

Kondyli, Aikaterini; Schräder, Wolfgang

doi:10.1002/jms.4306

Cited by 38 publications

(31 citation statements)

References 40 publications

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“…Oleh karena itu, energi ionisas i (82)(83)(84)(85)(86) pertamanya cukup rendah yaitu pada 495,8 kj/mol. Sebaliknya, energi (87)(88)(89)(90)(91) ionisasi (92)(93)(94)(95)(96)(97)(98)(99)(100)(101) kedua sangat tinggi (4562 kj/mol), karna elektron pada kulit L lebih dekat ke ini atom. Akibatnya, natrium membentuk senyawa ionik (48) dengan bermuatan Na + .…”

Section: Pendahuluanunclassified

Studi Termodinamika Transpor Ionik Natrium Klorida Dalam Air dan Campuran Tertentu

Hidayati¹,

Zainul²

2019

Preprint

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Abstrak. Natrium klorida dikenal dengan garam dapur. Senyawa ini memiliki rumus NaCl dan larut dalam air. Natrium klorida merupakan senyawa yang berwujud padat bentuk kristal dan berwarna putih. Natrium klorida merupakan senyawa ionik karena adanya ikatan antara logam natrium dengan non logam klorin. Natrium klorida, didalam air dapat terion menjadi ion ion penyusunnya. Penulisan review ini bertujuan untuk menganalisis interaksi molekul pada NaCl yang dilarutkan dalam air. Metode yang digunakan dalam menganalisis interaksi molekul adalah dengan permodelan menggunakan aplikasi ChemDraw 3D. Sedangkan untuk parameter mobilitas ion, konduktivitas, viskositas, dan konduktivitas molar digunakan perhitungan dan data dari salah satu jurnal yang telah di review. Penggunaan ChemDraw 3D dan ChemDraw 2D sebagai langkah untuk menganalisis atom atom penyusun NaCl beserta molekul dan pergerakan molekulnya. Hasil yang didapatkan yaitu struktur natrium klorida dengan analisis molekular 2D dan 3D. Analisis jari-jari natrium klorida pada Chemdraw 3D didapatkan sebesar 2,530A, dan jari jari atom natrium dan klor masing-masingnya sebesar 1.287A dan 1.688A. Setelah dilakukan optimasi MMFF94, didapatkan energi sterik sebesar 0.00073874 kcal/mol dan energi molekul bergerak dalam 30 interaksi atomnya adalah 101,4 kcal/mol. Natrium klorida mempunyai beberapa sifat termokimia dalam fasa padat pada tekanan 1 atm dan suhu 25°C ΔGf° -411.2, kj/mol, ΔHf° -384.1S° 72.1 dan C 50.5. Mobilitas ion natrium sebesar 5,19 m 2 s -1 V -1 dan mobilitas ion klorin bernilai 7,91 m 2 s -1 V -1 .

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Section: Pendahuluanunclassified

Studi Termodinamika Transpor Ionik Natrium Klorida Dalam Air dan Campuran Tertentu

Hidayati¹,

Zainul²

2019

Preprint

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“…Characterization of heavier crude oils is a challenging task since the amounts of volatile or semi‐volatile compounds are limited. Thus, the use of gas chromatography/mass spectrometry (GC/MS) is not a suitable method for the analysis of such complex samples or its heavier fractions . The above‐mentioned problem has been partially solved with the introduction of atmospheric pressure ionization sources .…”

Section: Introductionmentioning

confidence: 99%

“…Thus, the use of gas chromatography/mass spectrometry (GC/MS) is not a suitable method for the analysis of such complex samples or its heavier fractions. 18,19 The above-mentioned problem has been partially solved with the introduction of atmospheric pressure ionization sources. 20,21 In this family, electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) are the most widely used ionization techniques in crude oil analysis.…”

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confidence: 99%

Evaluation of the combination of different atmospheric pressure ionization sources for the analysis of extremely complex mixtures

Kondyli

Schräder

2020

Rapid Comm Mass Spectrometry

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Rationale Characterization of complex samples remains a challenging task due to the high number of compounds present. Matrix effects, ion discrimination and suppression are limiting factors which force the use of different methods for the same sample to gain a broad understanding of complex mixtures. Methods Various ionization techniques such as electrospray ionization (ESI), atmospheric pressure photoionization (APPI) and atmospheric pressure chemical ionization (APCI) have been used in various problems for complex mixture analysis. Especially demanding is the analysis of energy‐related hydrocarbon mixtures, such as crude oil. Here, the different ionization sources alone and in combination with each other have been used on an ultrahigh resolution Orbitrap mass spectrometer to study a light crude oil. Results Despite the great variety of the available ionization sources, there is no single technique which can fully characterize the crude oil. Each ionization technique shows a selectivity towards specific types of compounds. While ESI is the method of choice for the detection of polar compounds, APPI and APCI favor the detection of nonpolar and low‐to‐medium polar compounds, respectively. The combination of ESI/APPI favors hydrocarbons and oxygen‐containing species. Conclusions Combining different ionization methods can be used as an alternative in order to gain more information about compounds present in a complex mixture although a combination of different ion sources could enhance suppression effects.

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“…This technique has increasingly become the analytical tool of choice in numerous fields, such as proteomics, metabolomics, and environment . In recent research, the Orbitrap mass analyzer was also combined with an electron ionization (EI) ion source and used as a detector in one‐dimensional GC (GC–MS) . The advantage of EI is that the fragment patterns obtained are suitable for matching against the widely available National Institute of Standards and Technology (NIST) and Wiley MS spectra libraries, for rapid compound identification.…”

Section: Introductionmentioning

confidence: 99%

“…24 In recent research, the Orbitrap mass analyzer was also combined with an electron ionization (EI) ion source and used as a detector in one-dimensional GC (GC-MS). 25,26 The advantage of EI is that the fragment patterns obtained are suitable for matching against the widely available National Institute of Standards and Technology (NIST) and Wiley MS spectra libraries, for rapid compound identification. However, extensive fragmentation, lack of molecular ions, and high-mass fragment ions in EI 27 are factors limiting taking full advantage of its high mass accuracy.…”

Section: Introductionmentioning

confidence: 99%

Development of two‐dimensional gas chromatography (GC×GC) coupled with Orbitrap‐technology‐based mass spectrometry: Interest in the identification of biofuel composition

et al. 2020

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Comprehensive gas chromatography (GC) has emerged in recent years as the technique of choice for the analysis of volatile and semivolatile compounds in complex matrices. Coupling it with high‐resolution mass spectrometry (MS) makes a powerful tool for identification and quantification of organic compounds. The results obtained in this study showed a significant improvement by using GC×GC‐EI‐MS in comparison with GC‐EI‐MS; the separation of chromatogram peaks was highly improved, which facilitated detection and identification. However, the limitation of Orbitrap mass analyzer compared with time‐of‐flight analyzer is the data acquisition rate; the frequency average was about 25 Hz at a mass resolving power of 15.000, which is barely sufficient for the proper reconstruction of the narrowest chromatographic peaks. On the other hand, the different spectra obtained in this study showed an average mass accuracy of about 1 ppm. Within this average mass accuracy, some reasonable elemental compositions can be proposed and combined with characteristic fragment ions, and the molecules can be identified with precision. At a mass resolving power of 7.500, the scan rate reaches 43 Hz and the GC×GC‐MS peaks can be represented by more than 10 data points, which should be sufficient for quantification. The GC×GC‐MS was also applied to analyze a cellulose bio‐oil sample. Following this, a highly resolved chromatogram was obtained, allowing EI mass spectra containing molecular and fragment ions of many distinct molecules present in the sample to be identified.

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High‐resolution GC/MS studies of a light crude oil fraction

Cited by 38 publications

References 40 publications

Studi Termodinamika Transpor Ionik Natrium Klorida Dalam Air dan Campuran Tertentu

Studi Termodinamika Transpor Ionik Natrium Klorida Dalam Air dan Campuran Tertentu

Evaluation of the combination of different atmospheric pressure ionization sources for the analysis of extremely complex mixtures

Development of two‐dimensional gas chromatography (GC×GC) coupled with Orbitrap‐technology‐based mass spectrometry: Interest in the identification of biofuel composition

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