Results 71 to 80 of about 179,504 (276)

Computational study on the effects of solvent and thermodynamic properties of the pharmaceutical compound milrinone in aqueous solutions of ethanol and 2-propanol

open access: yesChemical Thermodynamics and Thermal Analysis
In this study, the Kamlet–Abboud–Taft linear solvation energy relationship (KAT-LSER) model, van't Hoff analysis, and Inverse Kirkwood-Buff Integrals method were applied to determine solvent effects, dissolution thermodynamics, and preferential solvation
Adel Noubigh   +2 more
doaj   +1 more source

High‐Temperature Phase Transformation in a V‐9Si‐6.5B Alloy: The Kinetic and Crystallographic Pathway From V5SiB2 to V8SiB4

open access: yesAdvanced Engineering Materials, EarlyView.
In situ synchrotron high‐energy X‐ray diffraction reveals the real‐time high‐temperature phase evolution of a ternary V‐9Si‐6.5B alloy. The study uncovers a kinetically delayed V5SiB2 → V8SiB4 transformation governed by massive structural and chemical barriers.
Zahra Sabeti   +4 more
wiley   +1 more source

Influence of Surface Water Displacement on Solvation Thermodynamics [PDF]

open access: yes, 2022
Many chemical reactions are carried out in an aqueous solution, as it is much more energy efficient. The aqueous media affects both the reaction thermodynamics and the surface chemistry. This is called Aqueous Phase Reforming (APR).
Kim, Mia
core  

Impact of MgO Additions on the Oxidation Resistance and Compression Behavior of Vanadium Alloys

open access: yesAdvanced Engineering Materials, EarlyView.
An increase in oxidation resistance at 600 °C is achieved for alloys containing more than 2.5 wt.% MgO. It has been established that, along with V2O5, MgO6V2, and Mg2O7V2 are formed, which are presumed to enhance oxidative stability. Furthermore, the possible transformation of Mg‐vanadates through reaction with CO2, which presumably occurs in this ...
Ievgen Solodkyi   +5 more
wiley   +1 more source

The Significant Differences in Solvation Thermodynamics of C1-C3 Oxygenates in Hydrophilic versus Hydrophobic Pores of a Hydrophilic Ti-FAU Zeolite Model [PDF]

open access: yes
The rates of catalytic reactions have been observed to be dramatically different in zeolites, depending on if they are hydrophobic or hydrophilic.
Xiuting, Chen, Rachel, Getman
core   +2 more sources

Accounting for Solvation Correlation Effects on the Thermodynamics of Water Networks in Protein Cavities

open access: yes, 2023
Macromolecular recognition and ligand binding are at the core of biological function and drug discovery efforts. Water molecules play a significant role in mediating the protein–ligand interaction, acting as more than just the surrounding medium by ...
Benjamin Ries (10344237)   +4 more
core   +1 more source

Microstructure Modification of Additively Manufactured Mo–9Si–8B by Annealing and Its Effects on High‐Temperature Mechanical Properties

open access: yesAdvanced Engineering Materials, EarlyView.
Postbuild annealing systematically modifies the phase fractions and morphology of EB‐PBF processed Mo–9Si–8B. Quantitative microstructure–property correlations reveal how controlled phase evolution enhances high‐temperature compressive strength and creep resistance.
Christopher Schmidt   +5 more
wiley   +1 more source

On the Thermodynamic Solvation of Biomolecules in Solution [PDF]

open access: yes, 2021
The topic solvation thermodynamics is an important aspect of chemistry, dealing with the effects introduced by solvents onto solutes. In particular, biological systems are highly heterogeneous in their choice of solvent typically characterized by either being in a polar or non-polar environment.
openaire  

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

open access: yesAdvanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang   +6 more
wiley   +1 more source

Octanol/water distribution coefficients of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates: Comparison of the IEFPCM-UFF, CPCM, and SMD solvation models [PDF]

open access: yes, 2010
The octanol/water distribution coefficients (log D~ow~) of the C~1~ through C~7~ perfluoro-n-alkyl sulfonates (PFSAs) were calculated using the M062X/6-311++G(d,p) and MP2/6-311++G(d,p)//M062X/6-311++G(d,p) levels of theory and the IEFPCM-UFF, CPCM, and ...
Sierra Rayne, Kaya Forest
core   +1 more source

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