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Modeling the Compressibility of a Multicomponent Liquid-Crystalline Phase CHS1 by Means of Molecular Dynamics
AbstractThe reaction between chiral smectic liquid crystal CHS1 (a mixture of achiral molecules of alkyl esters of...
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Thermal Conductivity of Oils at High Pressure
The results of the measurement of the thermal conductivity and the relative volume of two crude oil samples at pressures up to 1 GPa are presented....
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On the numerical simulation of non-isothermal heavy oil flow using horizontal wells and horizontal heaters
Thermal enhanced oil recovery is the most used technique to produce heavy oil. This method is based on the heat transfer to the hydrocarbon phase,...
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Structural and Thermodynamic Properties of Van der Waals Fluids via a Hard-Core Sutherland Potential
AbstractThe structural and thermodynamic properties of the Van der Waals fluids are determined at a wide range of densities and temperatures. For...
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Thermodynamic response functions and Stokes-Einstein breakdown in superheated water under gigapascal pressure
Liquid water is the most intriguing liquid in nature, both because of its importance to every known form of life, and its numerous anomalous...
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Ultrasonic and Conductometric Studies on l-Aspartic Acid and l-Glutamic Acid in Aqueous Solutions of Sodium Acetate
l -Aspartic acid (ASP) and l -glutamic acid (GLU) in aqueous solution of a food additive, sodium acetate (SA) have been taken for acoustic and...
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Thermodynamics Fundamentals
This chapter covers the fundamental concepts of thermodynamics, including thermodynamic properties and their units (Sect. 13.2), concept of mole,...
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Thermodynamics of micellization and oil solubilization in block copolymers P85
Thermophysical properties of aqueous pluronic solutions of P85 and P85–P123 systems with concentrations varying between 0.1 and 11 mass% for P85 and...
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Designing a New Lattice Model to Simulate Low-molecular-weight Block Copolymers for Nanolithographic Applications
A new lattice model is designed to be suitable for simulating low-molecular-weight block copolymer (BCP) melts currently used in experiments to...
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A Comprehensive Review on Acoustic Properties of Amino Acids in Various Solvent Systems
AbstractStudy of acoustic properties is one of the commonly chosen methods undertaken by researchers for analyzing molecular interactions and their...
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Calculation of the Liquid–Solid Phase Diagram and the Thermodynamic Quantities of the Binary System of Tetradecane and Hexadecane Using the Mean Field Theory
The T − x phase diagram of a binary system of tetradecane + hexadecane is calculated using the Landau phenomenological model. Expressions derived for...
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Energy
The basic relationships among internal energy, enthalpy, free energy, entropy, and equilibrium constant are given. Bond dissociation enthalpies,...
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Investigating the mechanical stability of flexible metal–organic frameworks
As we continue to develop metal–organic frameworks (MOFs) for potential industrial applications, it becomes increasingly imperative to understand...
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Prediction of speed of sound in compressed hydrocarbon and CO2 mixtures: theory comparison
The performances of eight mixing rules for calculating the speed of sound are evaluated at oil reservoir conditions. Their accuracies are measured by...
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Spatial Correlation in Typical Binary Polycondensation Systems: An Essential Extension of the Kirkwood-Buff Theory
W e present the isothermal susceptibility( χ T ) for the typical binary polycondensation system of A f -B g type, and relate χ T to the weight-average degree...
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Time dependent changes in the compression behavior of single wheat kernels upon tempering
Tempering, the controlled addition of water to wheat before milling, is an essential step for maximizing flour yield in the milling industry....
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Isotropic and anisotropic properties of adsorption-induced deformation of porous carbon materials
In the present work, the issues of isotropic/anisotropic character of adsorption-induced deformation of carbon adsorbents were addressed. A simple...
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A model of atomic compressibility and its application in QSAR domain for toxicological property prediction
A model for computing the atomic compressibility ( β ) based on two periodic descriptors, namely, absolute radius ( r ) and atomic electrophilicity index...
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Interpretation of covolume in an extension of the Redlich–Kwong equation of state for real gases
This work discusses an extension of the Redlich–Kwong (RK) equation of state for real gases that modifies its attractive part by introducing a third...