High-Throughput Characterization of Small and Large Molecules Using Only a Matrix and the Vacuum of a Mass Spectrometer

2015 ◽  
Vol 87 (9) ◽  
pp. 4667-4674 ◽  
Author(s):  
Daniel W. Woodall ◽  
Beixi Wang ◽  
Ellen D. Inutan ◽  
Srinivas B. Narayan ◽  
Sarah Trimpin
Author(s):  
Alfred Ludwig ◽  
Mona Nowak ◽  
Swati Kumari ◽  
Helge S. Stein ◽  
Ramona Gutkowski ◽  
...  

Energies ◽  
2021 ◽  
Vol 14 (8) ◽  
pp. 2123
Author(s):  
Makuachukwu F. Mbaegbu ◽  
Puspa L. Adhikari ◽  
Ipsita Gupta ◽  
Mathew Rowe

Determining gas compositions from live well fluids on a drilling rig is critical for real time formation evaluation. Development and utilization of a reliable mass spectrometric method to accurately characterize these live well fluids are always challenging due to lack of a robust and effectively selective instrument and procedure. The methods currently utilized need better calibration for the characterization of light hydrocarbons (C1–C6) at lower concentrations. The primary goal of this research is to develop and optimize a powerful and reliable analytical method to characterize live well fluid using a quadruple mass spectrometer (MS). The mass spectrometers currently being used in the field have issues with detection, spectra deconvolution, and quantification of analytes at lower concentrations (10–500 ppm), particularly for the lighter (<30 m/z) hydrocarbons. The objectives of the present study are thus to identify the detection issues, develop and optimize a better method, calibrate and QA/QC the MS, and validate the MS method in lab settings. In this study, we used two mass spectrometers to develop a selective and precise method to quantitatively analyze low level lighter analytes (C1–C6 hydrocarbons) with masses <75 m/z at concentrations 10–500 ppm. Our results suggest that proper mass selection like using base peaks with m/z 15, 26, 41, 43, 73, and 87, respectively, for methane, ethane, propane, butane, pentane, and hexane can help detect and accurately quantify hydrocarbons from gas streams. This optimized method in quadrupole mass spectrometer (QMS) will be invaluable for early characterization of the fluid components from a live hydrocarbon well in the field in real time.


2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Yiming Chen ◽  
Chi Chen ◽  
Chen Zheng ◽  
Shyam Dwaraknath ◽  
Matthew K. Horton ◽  
...  

AbstractThe L-edge X-ray Absorption Near Edge Structure (XANES) is widely used in the characterization of transition metal compounds. Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge spectra for more than 22,000 structures generated using a high-throughput computational workflow. The data is disseminated through the Materials Project and addresses a critical need for L-edge XANES spectra among the research community.


2021 ◽  
Vol 52 (4) ◽  
pp. 1159-1168
Author(s):  
Lei Zhao ◽  
Yuanxun Zhou ◽  
Hui Wang ◽  
Xuebin Chen ◽  
Lixia Yang ◽  
...  

2019 ◽  
Vol 60 (5) ◽  
pp. 1082-1097 ◽  
Author(s):  
Panneerselvam Krishnamurthy ◽  
Yukiko Fujisawa ◽  
Yuya Takahashi ◽  
Hanako Abe ◽  
Kentaro Yamane ◽  
...  

PLoS ONE ◽  
2018 ◽  
Vol 13 (5) ◽  
pp. e0196942 ◽  
Author(s):  
Debashis Dutta ◽  
Samuel Johnson ◽  
Alisha Dalal ◽  
Martin J. Deymier ◽  
Eric Hunter ◽  
...  

2013 ◽  
Vol 5 (1) ◽  
pp. 21-25 ◽  
Author(s):  
Yue-Jian Hu ◽  
Qian Wang ◽  
Yun-Tao Jiang ◽  
Rui Ma ◽  
Wen-Wei Xia ◽  
...  

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