Alkyl Dibenzothiophenes Tracing the Crude Oil Filling Pathway in the Fuyang Oil Layer of Wangfu Sag, Songliao Basin

2012 ◽  
Vol 524-527 ◽  
pp. 1788-1791
Author(s):  
Xing Chao Jiang
Keyword(s):  
Hydrogen Bond ◽  
Thermodynamic Stability ◽  
Oil Reservoir ◽  
Oil Migration ◽  
The Third ◽  
Molecular Tracers ◽  
Molecular Ratios ◽  
Source Kitchen ◽  
Alkyl Dibenzothiophenes ◽  
Filling Pathway

Based on the thermodynamic stability and hydrogen bond mechanisms, alkyl dibenzothiophene molecular ratios, 4-/1-MDBT, and 4,6-/1,4-DMDBT, are used to characterize organic maturity and oil migration, which can act as molecular tracers for the filling orientation and pathway in oil reservoir. The results show that the well Shuang32 is the filling point which is close to the source kitchen. Three advantaged oil migration and filling pathways have been discovered, the first one is that oil is charged from well Shuang32 to well Shuang26- well Shuang301- well Shuang31 in northeast orientation, the second one is that oil is charged from well Shuang32 to well Shuang34- well Shuang36 in southwest orientation, the third one is that oil is charged from well Shuang 32 to well Chang502- well Shuang 23 in west-northwest orientation.

Benzo[b]naphthothiophenes and alkyl dibenzothiophenes: Molecular tracers for oil migration distances

2014 ◽  
Vol 57 ◽  
pp. 403-417 ◽  
Author(s):  
Meijun Li ◽  
T.-G. Wang ◽  
Shengbao Shi ◽  
Keyu Liu ◽  
Geoffrey S. Ellis
Keyword(s):  
Oil Migration ◽  
Molecular Tracers ◽  
Alkyl Dibenzothiophenes

Alkyldibenzothiophenes: molecular tracers for filling pathway in oil reservoirs

2004 ◽  
Vol 49 (22) ◽  
pp. 2399-2404 ◽  
Author(s):  
Tieguan Wang ◽  
Faqi He ◽  
Meijun Li ◽  
Yong Hou ◽  
Shuqi Guo
Keyword(s):  
Oil Reservoirs ◽  
Molecular Tracers ◽  
Filling Pathway

Reassessment of Acceptor Passivation Models in p-Type Hydrogenated GaAs

1989 ◽  
Vol 163 ◽  
Author(s):  
I. Szafranek ◽  
G.E. Stillman
Keyword(s):  
Hydrogen Bond ◽  
Coulomb Interaction ◽  
Strong Interaction ◽  
Thermodynamic Stability ◽  
Relative Stability ◽  
Present Model ◽  
Bohr Radius ◽  
Microscopic Models ◽  
P Type ◽  
Relative Thermodynamic Stability

AbstractThe existing microscopic models of acceptor passivation in p-type hydrogenated GaAs are reviewed in light of new experimental results concerning the relative thermodynamic stability of the passivating complexes. In particular, the present model for neutralization of Group II acceptors, Be, Mg and Zn, on Ga sites is shown to be inadequate to account for the observed trends, which imply existence of a strong interaction between the hydrogen and acceptor. It is proposed that a direct acceptor-hydrogen bond is formed due to attractive Coulomb interaction between the ionized species. The relative stability of the pair complex can be then explained based on electronegativity of the acceptor species. Passivation at intermediate pair separations up to about twice the Bohr radius of the nearest acceptor, is also discussed.

Algorithm for 2D Modeling of the Propagation of a Sound Wave in an N-layer Elastic Medium with Inclusions with Various Physical-Mechanical Properties of a Hierarchical Type Located in an Oil Reservoir

2020 ◽  
Author(s):  
Andrey Khachay
Keyword(s):  
Elastic Medium ◽  
Hierarchical Structures ◽  
Oil Fields ◽  
Oil Reservoir ◽  
Horizontal Drilling ◽  
2D Modeling ◽  
The Third ◽  
Saturated Density ◽  
Integral Differential Equations ◽  
Degree Of Filling

<p>A new method has been developed for modeling acoustic monitoring of a layered-block elastic medium with several inclusions of various physical, mechanical and phase hierarchical structures. An iterative process is developed for solving the direct problem for the case of three hierarchical inclusions of l, m, s-th ranks based on the use of 2D integral-differential equations. The degree of hierarchy of inclusions is determined by the values ​​of their ranks, which can be different. Hierarchical inclusions are located in one layer: the first is anomalously dense, the second is anomalously plastic, and the third is anomalously elastic and fluid-saturated density. The degree of filling with inclusions of each rank for all three hierarchical inclusions is different. The simulation results can be used in monitoring studies of the control of fluid return from oil fields developed as part of horizontal drilling.</p><p> </p>

GEOCHEMICAL EVIDENCE OF MULTIPLE HYDROCARBON CHARGES AND LONG DISTANCE OIL MIGRATION IN THE VULCAN SUB-BASIN, TIMOR SEA

2005 ◽  
Vol 45 (1) ◽  
pp. 493 ◽  
Author(s):  
K. Liu ◽  
S. Fenton ◽  
T. Bastow ◽  
B. van Aarssen ◽  
P. Eadington
Keyword(s):  
Aromatic Hydrocarbons ◽  
Low Molecular Weight ◽  
Long Distance ◽  
Oil Migration ◽  
Spectral Signatures ◽  
Apparent Correlation ◽  
Timor Sea ◽  
And Migration ◽  
Hydrocarbon Charge ◽  
Source Kitchen

Hydrocarbon accumulation and migration processes in the Vulcan Sub-basin, Timor Sea, were investigated using the Total Scanning Fluorescence (TSF) technique and phenol and carbazole abundances in both reservoired and inclusion oils. The TSF spectral signatures have delineated multiple groups of oils within the Vulcan Sub-basin, largely identifying with the different oil families previously identified by biomarkers and isotope data. An apparent correlation between diminishing carbazole concentration and increasing distance from the source kitchen was found in reservoired oils within the Vulcan Sub-basin, providing evidence for long distance oil migration of up to 80 km. In the southernmost part of the Vulcan Sub-basin a possible light hydrocarbon charge rich in benzene and other low-molecular-weight aromatic hydrocarbons is believed to be responsible for the observed anomalously high phenol concentrations in oils from the surrounding wells. A previously unknown, possibly a Cretaceous-or-younger, source kitchen may be present along the eastern margin of the Vulcan Sub-basin and was probably responsible for the palaeo oil accumulations in the Tancred and Osprey structures as revealed by the TSF spectral signatures and biomarkers from the fluid inclusion oils.

scholarly journals Hydrogen bonds in molecular crystals alanine and tyrosine: NBO analysis

2020 ◽  
Vol 64 (10) ◽  
pp. 1-6
Author(s):  
Tatiana G. Volkova ◽  
◽  
Iroda Mamirjon kizi Abdukhalimova ◽  
Irina O. Talanova ◽  
◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Charge Transfer ◽  
Hydrogen Bonds ◽  
Molecular Crystals ◽  
Dft Method ◽  
Nbo Analysis ◽  
Chemical Modeling ◽  
Theoretical Concepts ◽  
Oh Groups ◽  
The Third

At present, the theoretical concepts of the hydrogen bond (H-bond) in condensed media, for example, in living systems, biomolecules, are not fully solved. Quantum chemical modeling is used as one of the methods for studying the nature and determining the strength of the H-bond. In this paper, we continue to study the system of hydrogen bonds in molecular crystals of alanine and tyrosine. The dimers of these amino acids were modeled using the DFT method using the B97D functional with bases 6-31++G**. In the framework of NBO analysis, the stabilization energies of the formed hydrogen bond and the value of the transferred charge are calculated. It is shown that in alanine dimers, the main factor affecting the h-bond stabilization energy is the geometric parameters and, first of all, (N-H...O). The binding σ-orbital of the hydrogen bond is the result of the interaction of a hybrid NBO of the lone electron pairs of an oxygen atom and a loosening σ*-NBO N−H bond. The nature of bond formation in all three cases is the same, and the charge transfer value is greater than the value of the bond criterion, which indicates the presence of hydrogen bonds in all analyzed alanine systems. In tyrosine dimers, two H-bonds are formed that are similar in nature, as well as in geometric and energy parameters. The third H-bond is very weak, and the amount of charge transfer indicates its absence. The main interaction between the molecules in the third tyrosine dimer is the H-bond between the –СОО− and –OH groups. It was found that the scheme of formation of hydrogen bonds in molecular crystals of tyrosine is somewhat different from that of alanine.

scholarly journals Crystal structure ofN-(2-amino-5-cyano-4-methylsulfanyl-6-oxo-1,6-dihydropyrimidin-1-yl)-4-bromobenzenesulfonamide dimethylformamide monosolvate

2015 ◽  
Vol 71 (11) ◽  
pp. 1322-1324 ◽  
Author(s):  
Galal H. Elgemeie ◽  
Reham A. Mohamed ◽  
Hoda A. Hussein ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Layer Structure ◽  
Amine Group ◽  
Weak Hydrogen Bond ◽  
Interplanar Angle ◽  
The Third ◽  
Compound C ◽  
Third Dimension

The title compound, C12H10BrN5O3S2·C3H7NO, displays an almost planar amine group. The interplanar angle between the rings is 31.72 (6)°. The residues are associated into ribbons parallel to [110] by three classical hydrogen bonds; one from each amine Hamineto ODMFand one from NHamideto Ooxo. Adjacent ribbons are connected by translation parallel to thecaxis by a `weak' hydrogen bond Hmethyl...Osulfonylto form a layer structure parallel to (1-10), while a further contact Hbromophenyl...Osulfonylconnects the residues in the third dimension.

scholarly journals Molecular Dynamics Simulations Suggest a Non-Doublet Decoding Model of –1 Frameshifting by tRNASer3

Biomolecules ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 745 ◽  
Author(s):  
Caulfield ◽  
Coban ◽  
Tek ◽  
Flores
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Wild Type ◽  
E Coli ◽  
The Third ◽  
Dynamics Simulations

In-frame decoding in the ribosome occurs through canonical or wobble Watson–Crick pairing of three mRNA codon bases (a triplet) with a triplet of anticodon bases in tRNA. Departures from the triplet–triplet interaction can result in frameshifting, meaning downstream mRNA codons are then read in a different register. There are many mechanisms to induce frameshifting, and most are insufficiently understood. One previously proposed mechanism is doublet decoding, in which only codon bases 1 and 2 are read by anticodon bases 34 and 35, which would lead to –1 frameshifting. In E. coli, tRNASer3GCU can induce –1 frameshifting at alanine (GCA) codons. The logic of the doublet decoding model is that the Ala codon’s GC could pair with the tRNASer3′s GC, leaving the third anticodon residue U36 making no interactions with mRNA. Under that model, a U36C mutation would still induce –1 frameshifting, but experiments refute this. We perform all-atom simulations of wild-type tRNASer3, as well as a U36C mutant. Our simulations revealed a hydrogen bond between U36 of the anticodon and G1 of the codon. The U36C mutant cannot make this interaction, as it lacks the hydrogen-bond-donating H3. The simulation thus suggests a novel, non-doublet decoding mechanism for −1 frameshifting by tRNASer3 at Ala codons.

Rearrangement hopane: Molecular tracers for filling pathway in oil reservoirs

2017 ◽  
Vol 35 (17) ◽  
pp. 1750-1756
Author(s):  
Li Wei ◽  
Wen ZhiGang ◽  
Xu Yaohui ◽  
Zhu Cuishan
Keyword(s):  
Oil Reservoirs ◽  
Molecular Tracers ◽  
Filling Pathway
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