Determination of Kamlet–Taft solvent parameters π* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole

2006 ◽  
Vol 8 (19) ◽  
pp. 2257-2264 ◽  
Author(s):  
Kimitaka Minami ◽  
Masamichi Mizuta ◽  
Muneyuki Suzuki ◽  
Takafumi Aizawa ◽  
Kunio Arai
Keyword(s):  
High Pressure ◽  
Supercritical Water ◽  
Spectral Shift ◽  
Solvent Parameters

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

scholarly journals New high-pressure phases of Fe7N3 and Fe7C3 stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3577-3581 ◽  
Author(s):  
Nursultan Sagatov ◽  
Pavel N. Gavryushkin ◽  
Talgat M. Inerbaev ◽  
Konstantin D. Litasov
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ab Initio ◽  
Structure Prediction ◽  
Harmonic Approximation ◽  
Crystal Structure Prediction ◽  
Earth’S Core ◽  
Earth's Core ◽  
Core Conditions

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe7N3 and Fe7C3.

Determination of pseudo-refractive index in self-assembled ligand layers from spectral shift of surface plasmon resonances in colloidal silver nanoplates

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Pavel Malakhovsky ◽  
Dmitry Murausky ◽  
Dmitry Guzatov ◽  
Sergey Gaponenko ◽  
Mikhail Artemyev
Keyword(s):  
Refractive Index ◽  
Surface Plasmon ◽  
Mie Theory ◽  
Spectral Shift ◽  
Localized Surface Plasmon ◽  
Clear Trend ◽  
Silver Nanoplates ◽  
Assembled Monolayers ◽  
Self Assembled

Abstract We examined systematically how self-assembled monolayers (SAMs) of different mercaptoacids affect the spectral shift of the localized surface plasmon resonance in silver nanoplates and nanospheres. We observed a clear trend in the magnitude of a redshift with a molecular length or the SAM thickness within a homologous series of aliphatic mercaptoacids: the thicker shell the stronger the red shift. Using classic Mie theory for plasmonic core-dielectric shell spheres and oblate spheroids we developed the method for determination of a pseudo-refractive index in SAM of different molecules and obtained a good correlation with the reference refractive indices for bulk long-chain aliphatic acids, but only in case of silver nanoplates. Calculations for silver core–shell nanospheres gave overestimated values of refractive index perhaps due to restrictions of Mie theory on the minimum particle size.

On the Negative Excess Isotherms for Methane Adsorption at High Pressure: Modeling and Experiment

SPE Journal ◽  
2019 ◽  
Vol 24 (06) ◽  
pp. 2504-2525 ◽  
Author(s):  
Jing Li ◽  
Keliu Wu ◽  
Zhangxin Chen ◽  
Kun Wang ◽  
Jia Luo ◽  
...  
Keyword(s):  
High Pressure ◽  
Mass Balance ◽  
High Pressures ◽  
Pore Wall ◽  
Void Volume ◽  
Excess Adsorption ◽  
Experimental Conditions ◽  
Accessible Volume ◽  
Adsorbed Phase

Summary An excess adsorption amount obtained in experiments is always determined by mass balance with a void volume measured by helium (He) –expansion tests. However, He, with a small kinetic diameter, can penetrate into narrow pores in porous media that are inaccessible to adsorbate gases [e.g., methane (CH4)]. Thus, the actual accessible volume for a specific adsorbate is always overestimated by an He–based void volume; such overestimation directly leads to errors in the determination of excess isotherms in the laboratory, such as “negative isotherms” for gas adsorption at high pressures, which further affects an accurate description of total gas in place (GIP) for shale–gas reservoirs. In this work, the mass balance for determining the adsorbed amount is rewritten, and two particular concepts, an “apparent excess adsorption” and an “actual excess adsorption,” are considered. Apparent adsorption is directly determined by an He–based volume, corresponding to the traditional treatment in experimental conditions, whereas actual adsorption is determined by an adsorbate–accessible volume, where pore–wall potential is always nonpositive (i.e., an attractive molecule/pore–wall interaction). Results show the following: The apparent excess isotherm determined by the He–based volume gradually becomes negative at high pressures, but the actual one determined by the adsorbate–accessible volume always remains positive.The negative adsorption phenomenon in the apparent excess isotherm is a result of the overestimation in the adsorbate–accessible volume, and a larger overestimation leads to an earlier appearance of this negative adsorption.The positive amount in the actual excess isotherm indicates that the adsorbed phase is always denser than the bulk gas because of the molecule/pore–wall attraction aiding the compression of the adsorbed molecules. Practically, an overestimation in pore volume (PV) is only 3.74% for our studied sample, but it leads to an underestimation reaching up to 22.1% in the actual excess amount at geologic conditions (i.e., approximately 47 MPa and approximately 384 K). Such an overestimation in PV also underestimates the proportions of the adsorbed–gas amount to the free–gas amount and to the total GIP. Therefore, our present work underlines the importance of a void volume in the determination of adsorption isotherms; moreover, we establish a path for a more–accurate evaluation of gas storage in geologic shale reservoirs with high pressure.

scholarly journals Determination of density and excess molar volume of dimethyl sulfoxide + 1-allyl-3-methylimidazolium chloride mixtures at high pressure

2017 ◽  
Vol 130 ◽  
pp. 76-83 ◽  
Author(s):  
Laura de Pablo Nisa ◽  
José J. Segovia ◽  
Ángel Martín ◽  
M. Carmen Martín ◽  
M. Dolores Bermejo
Keyword(s):  
High Pressure ◽  
Dimethyl Sulfoxide ◽  
Molar Volume ◽  
Excess Molar Volume
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