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Keywords = diamantane

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23 pages, 5302 KiB  
Article
Molecular and Carbon Isotopic Compositions of Crude Oils from the Kekeya Area of the Southwest Depression, Tarim Basin: Implications for Oil Groups and Effective Sources
by Xiaojie Gao, Qilin Xiao, Zhushi Ge, Suyang Cai, Haizhu Zhang, Xiang Wang, Zhenping Xu, Zhanghu Wang, Xiaomin Xie and Qiang Meng
Energies 2024, 17(3), 760; https://doi.org/10.3390/en17030760 - 5 Feb 2024
Cited by 1 | Viewed by 1391
Abstract
Molecular and stable carbon isotopic compositions of 32 crude oils from the Kekeya area of the Southwest Depression, Tarim Basin, were analyzed comprehensively to clarify oil groups and trace oil sources. The results indicate that lacustrine shale sequences within the Upper-Middle Permian Pusige [...] Read more.
Molecular and stable carbon isotopic compositions of 32 crude oils from the Kekeya area of the Southwest Depression, Tarim Basin, were analyzed comprehensively to clarify oil groups and trace oil sources. The results indicate that lacustrine shale sequences within the Upper-Middle Permian Pusige Formation (P3–2p) are the major effective oil sources; the thermal maturation effects exert the crucial impact on geochemical compositions of crude oils. In the Kekeya structural belt, crude oils produced from the Lower-Neogene, Middle-Paleogene and Middle-Cretaceous sandstone reservoirs were generated mainly from deeply buried P3–2p at the late-to-high maturity stage. These condensates are depleted in terpanes, steranes and triaromatic steranes and enriched in adamantanes and diamantanes. The evaluated thermal maturity levels of crude oils by terpanoids and steranes are generally lower than that of diamondoids, implying at least two phases of oil charging. In the Fusha structural belt, oils produced from the Lower-Jurassic reservoirs (J1s) of Well FS8 were generated from the local P3–2p at the middle to late mature stage. On the contrary, these oils are relatively rich in molecular biomarkers such as terpanes and steranes and depleted in diamondoids with only adamantanes detectable. The P3–2p-associated oils can migrate laterally from the Kekeya to Fusha structural belt, but not to the location of Well FS8. The Middle-Lower Jurassic (J1–2) lacustrine shales as the major oil sources are limited to the area around Well KS101 in the Kekeya structural belt. Crude oils originated from J1–2 and P3–2p can mix together within the Cretaceous reservoirs of Well KS101 by presenting the concurrence of high concentrations of terpane and sterane biomarkers and diamondoids as well as 2–4% 13C-enriched n-alkanes than those of P3–2p derived oils. This study provides a better understanding of hydrocarbon sources and accumulation mechanisms and hence petroleum exploration in this region. Full article
(This article belongs to the Section H: Geo-Energy)
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4 pages, 369 KiB  
Communication
Synthesis of 10-Methoxydiamantan-3-One
by Ngo Trung Hoc, A. A. Fokin and V. N. Rodionov
Molbank 2018, 2018(2), M990; https://doi.org/10.3390/M990 - 9 Apr 2018
Cited by 1 | Viewed by 2700
Abstract
The synthesis of diamondoids particles up to 1–5 nm, in order to detect the nanostructure in the construction of nanoelectronic devices, for which the present of quantum limitation effects are theoretically presaged, is at the present time problematic. Diamondoids have many important physical [...] Read more.
The synthesis of diamondoids particles up to 1–5 nm, in order to detect the nanostructure in the construction of nanoelectronic devices, for which the present of quantum limitation effects are theoretically presaged, is at the present time problematic. Diamondoids have many important physical characteristics, including rigidity, lipophilicity, low strain energy, etc. Diamantane and their derivatives are also interesting for the study of nanoparticles. The present study deals with the development of the new synthetic route and diamantine-containing precursor for McMurry coupling reactions. Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
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12 pages, 869 KiB  
Article
Diamondoid Characterization in Condensate by Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry: The Junggar Basin of Northwest China
by Shuifu Li, Shouzhi Hu, Jian Cao, Ming Wu and Dongmei Zhang
Int. J. Mol. Sci. 2012, 13(9), 11399-11410; https://doi.org/10.3390/ijms130911399 - 12 Sep 2012
Cited by 20 | Viewed by 7189
Abstract
Diamondoids in crude oil are useful for assessing the maturity of oil in high maturation. However, they are very difficult to separate and accurately quantify by conventional geochemical methods due to their low abundance in oil. In this paper, we use comprehensive two-dimensional [...] Read more.
Diamondoids in crude oil are useful for assessing the maturity of oil in high maturation. However, they are very difficult to separate and accurately quantify by conventional geochemical methods due to their low abundance in oil. In this paper, we use comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC×GC-TOFMS) to study the compounds in condensates from the Junggar Basin of northwest China and address their geological and geochemical applications. GC×GC-TOFMS improves the resolution and separation efficiency of the compounds. It not only separates the compounds that coelute in conventional GC-MS (e.g., 4, 8-dimethyl-diamantane and trimethyl-diamantane) but also allows the identification of compounds that were not previously detected (e.g., trimethyl-diamantane (15A)). A reversed-phase column system improves the separation capabilities over the normal phase column system. The diamondoid indexes indicate that a representative condensate from Well DX 10 is highly mature with equivalent Ro being approximately 1.5%. Full article
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16 pages, 1457 KiB  
Article
Self-Assembly of Diamondoid Molecules and Derivatives (MD Simulations and DFT Calculations)
by Yong Xue and G. Ali Mansoori
Int. J. Mol. Sci. 2010, 11(1), 288-303; https://doi.org/10.3390/ijms11010288 - 21 Jan 2010
Cited by 44 | Viewed by 15706
Abstract
We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, memantine and rimantadine) and two artificial molecules [...] Read more.
We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, memantine and rimantadine) and two artificial molecules (ADM•Na and DIM•Na) are studied separately in 125-molecule simulation systems. We performed DFT calculations to optimize their molecular geometries and obtained atomic electronic charges for the corresponding MD simulation, by which we predicted self-assembly structures and simulation trajectories for the seven different diamondoids and derivatives. Our radial distribution function and structure factor studies showed clear phase transitions and self-assemblies for the seven diamondoids and derivatives. Full article
(This article belongs to the Special Issue Molecular Self-Assembly)
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