P-T-X effects on equilibrium carbonate-H2O-CO2-NaCl dihedral angles: constraints on carbonate permeability and the role of deformation during fluid infiltration

1995 ◽  
Vol 119 (2-3) ◽  
pp. 301-313 ◽  
Author(s):  
M. B. Holness ◽  
C. M. Graham
2016 ◽  
Vol 380 ◽  
pp. 231-244 ◽  
Author(s):  
Gerhard Bartzke ◽  
Lina Podszun ◽  
Katrin Huhn

2019 ◽  
Vol 89 ◽  
pp. 03002
Author(s):  
M.A Velazco ◽  
A. Bruce ◽  
M. Ferris ◽  
J. Reed ◽  
R. Kandasamy

Clean sandstone, with minimal clay content, is expected to be strongly water wet once the rock has been through an effective cleaning process. Even samples containing significant clay minerals are usually expected to be water wet after appropriate cleaning. However, tests carried out on core samples from Fields in three different global locations show mixed indices, even for clean state samples where no aging with crude oil has taken place. A few hypotheses for this behaviour considered herein are: whether the cleaning method was adequate, whether wettability was altered by an external factor, or if wettability was due to mineral composition. This paper presents the results obtained from wettability studies on fresh, clean and restored state core plug samples from three different Fields. Wettability indices were obtained by using the combined Amott-USBM method. Petrography was performed on sample end-trims to investigate the possible presence of halite or barite in the clean state samples, thought to be from drilling fluid infiltration, which should have been removed by the methanol cleaning cycle. This showed no organic material or salt (halite), negating wetting change from inefficient cleaning. From a reactive clays [1] model perspective, these rock samples are considered clean-sand (i.e. illite/ smectites- as total clay content), determined by XRD analysis, are lower than 10%. SEM and XRD results showed the presence of grain-coating chlorite in one sample set and glauconite grains in the others. Only once the unusual wettability indices were obtained was the grain-coating chlorite identified as chamosite by SEM/EDX, which is an iron-rich form of chlorite. The presence of chamosite or glauconite appears to influence the wetting tendency. In summary, USBM vs Amott wettability indices of the analysed samples are consistent between both methods, showing a mixed to oil-wet tendency for all samples where chamosite was identified, regardless of the initial test condition. Samples with glauconite appeared to be more mixed wet after wettability restoration. The results suggest that iron rich clay/mineral content is the main contributor to the oil wet tendency of the evaluated rocks.


Author(s):  
Shaaban K. Mohamed ◽  
Sahar M. I. Elgarhy ◽  
Alaa A. Hassan ◽  
Güneş Demirtaş ◽  
Joel. T. Mague ◽  
...  

In the title molecular salt, C26H24N3S+·Br−, the dihedral angles between the thiazole ring and its attached phenyl and benzoyl rings are 54.81 (7) and 85.51 (7)°, respectively. In the crystal, ion pairs are linked by C—H...Br and N—H...Br hydrogen bonds and are connected into helical chains extending along the c-axis direction by weak, electrostatic S...Br− interactions. A Hirshfeld surface analysis was performed, which showed the dominant role of H...H contacts (51.3%).


2007 ◽  
Vol 85 (3) ◽  
pp. 366-374 ◽  
Author(s):  
Karen M. Black ◽  
Carmichael J.A. Wallace

The loop segment comprising residues 70–84 in mitochondrial cytochrome c serves to direct the polypeptide backbone to permit the functionally required heme Fe – S (Met-80) co-ordination. The primary sequence here is highly conserved, which is something rarely observed in surface loop segments and suggests that its purpose is more complex than its obvious structural role. The β-II turn formed by Pro-76 and Gly-77 is postulated to be key to the redirection of the peptide backbone required to execute the loop. We assessed the importance of Pro-76 and Gly-77 by mutating 1 or both of these residues to alanine such that the range of allowable dihedral angles was altered, and this resulted in significant changes in physicochemical properties and biological activities. We observed structural perturbations using circular dichroism spectroscopy and thermal denaturation studies. Based on these changes, we propose that the Pro-76/Gly-77 β-II turn precisely orients the 70s loop, not only to maintain the backbone orientation required for the formation of the axial heme ligand, but also to provide a complementary surface to physiological partners.


IUCrData ◽  
2021 ◽  
Vol 6 (11) ◽  
Author(s):  
C. Selva Meenatchi ◽  
S. Athimoolam ◽  
J. Suresh ◽  
S. Raja Rubina ◽  
R. Ranjith Kumar ◽  
...  

In the title compound, C20H15ClN2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methylene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and chlorobenzene rings is 74.5 (1)°. The heterocyclic ring forms dihedral angles of 37.9 (1) and 64.3 (1)° with the phenyl and chlorobenzene rings, respectively. In the crystal, weak C—H...O interactions feature predominantly within the three-dimensional architecture. The intermolecular interactions are further analysed with the calculation of the Hirshfeld surfaces highlighting the prominent role of C—H...O interactions, along with H...H (36.8%) and C...H/H...C (26.5%) contacts.


2014 ◽  
Vol 1 (34) ◽  
pp. 29
Author(s):  
Gerhard Bartzke ◽  
Lina Podszun ◽  
Katrin Huhn
Keyword(s):  

1981 ◽  
Vol 36 (9) ◽  
pp. 1009-1011 ◽  
Author(s):  
Patrice Jacques

Abstract The conformation of trans benzylidene aniline (BA) was investigated, using the PCILO and CNDO/S methods. On the basis of a recent gas phase structure determination, the PCILO method proved very efficient when the valence and dihedral angles were optimized. Moreover, the CNDO/S method establishes clearly the non planarity of BA and gives a quite satisfactory inter-pretation of the UV spectra when appropriate bond lengths are choosen for the -N=CH- skeleton.


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