The Experts below are selected from a list of 267 Experts worldwide ranked by ideXlab platform
G N Patey - One of the best experts on this subject based on the ideXlab platform.
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understanding the structure factor and Isothermal Compressibility of ambient water in terms of local structural environments
Journal of Physical Chemistry B, 2012Co-Authors: S D Overduin, G N PateyAbstract:We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effective attractive interactions between molecules with similar local environments and effective repulsive interactions between molecules with different local environments. These effective interactions lead to significant concentration fluctuations under ambient conditions. The concentration fluctuations correlate with density fluctuations, and provide an explanation for the recently reported (Huang et al. Proc. Natl. Acad. Sci. U.S.A.2009, 36, 15214) increase in the structure factor at small wavenumber, as well as for the well-known anomalous temperature dependence of the Isothermal Compressibility.
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understanding the structure factor and Isothermal Compressibility of ambient water in terms of local structural environments b
The Journal of Physical Chemistry, 2012Co-Authors: S D Overduin, G N PateyAbstract:We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effective attractive interactions between molecules with similar local environments and effective repulsive interactions between molecules with different local environments. These effective interactions lead to significant concentration fluctuations under ambient conditions. The concentration fluctuations correlate with density fluctuations, and provide an explanation for the recently reported (Huang et al. Proc. Natl. Acad. Sci. U.S.A.2009, 36, 15214) increase in the structure factor at small wavenumber, as well as for the well-known anomalous temperature dependence of the Isothermal Compressibility.
Tao Jiang - One of the best experts on this subject based on the ideXlab platform.
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phase behaviors density and Isothermal Compressibility of styrene co2 ethylbenzene co2 and ethylbezene styrene co2 systems
Journal of Chemical & Engineering Data, 2005Co-Authors: Junyi Zhang, Xiaoxin Zhang, Baoning Zong, Tao JiangAbstract:The critical points, bubble points, and dew points of ethylbenzene + CO2, styrene + CO2, and ethylbezene + styrene + CO2 mixtures were measured in CO2-rich region, and the density of the mixtures were also determined. For all the mixtures, the critical temperatures and critical pressures increase with the decrease of CO2 concentration in the concentration range studied. The phase separation pressures of the mixtures increased with increasing temperature at a fixed composition, but at constant temperature the phase separation pressures decreased as the CO2 mole fraction in the mixtures was reduced. The Peng−Robinson equations of state was used to calculate the critical points, bubble points, and dew points parameters. The results agreed reasonably with the experimental data. The Isothermal Compressibility (KT) of the mixtures was also investigated. It is demonstrated that the trend of KT to pressure varies slowly as the pressure is far from the phase separation points. However, KT is sensitive to pressure ...
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phase behavior densities and Isothermal Compressibility of the co2 pentane acetone ternary system in various phase regions
Journal of Chemical & Engineering Data, 2004Co-Authors: Jiawei Chen, Jun He, Weize Wu, Tao Jiang, Ying Huang, And Guanying YangAbstract:The phase behavior and critical parameters of the CO2 (1) + pentane (2) + acetone (3) ternary system with different compositions were determined experimentally, and their densities were measured in both the subcritical and supercritical (SC) regions. The Isothermal Compressibility (KT) at some typical conditions was calculated using the density data. It is demonstrated that the density is sensitive to pressure as the pressure approaches the critical point of the mixtures, i.e, KT is large and increases sharply. KT also increases significantly as pressure approaches the dew point or the bubble point at other compositions close to the critical composition. However, KT is very small and is not sensitive to pressure well above the dew point or the bubble point. When the composition is far from the critical composition, KT has small values, and the effect of pressure on KT is very small, even near the phase-separation point.
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phase behavior densities and Isothermal Compressibility of co2 pentane and co2 acetone systems in various phase regions
Journal of Chemical & Engineering Data, 2003Co-Authors: Jiawei Chen, Weize Wu, Tiancheng Mu, Tao Jiang, Jimin DuAbstract:The phase behavior and critical parameters of CO2 (1) + pentane (2) and CO2 (1) + acetone (2) were determined experimentally, and their densities were measured in both the subcritical and supercritical regions. The Isothermal Compressibility (KT) was calculated using the density data. It is demonstrated that the density is sensitive to pressure as the pressure approaches the critical point of the mixtures, that is, KT is large and increases sharply. KT also increases significantly as the pressure approaches the dew point or the bubble point at other compositions close to the critical composition. However, KT is very small and is not sensitive to pressure well above the dew point or the bubble point. When the composition is far from the critical one, KT is fairly small and the effect of pressure on KT is very limited, even near the phase separation point.
M. M. Kurbanov - One of the best experts on this subject based on the ideXlab platform.
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correlation between the thermal expansion Isothermal Compressibility and photoconductivity of the tlgase2 1 x tlins2 x x 0 1 0 2 solid solutions
Inorganic Materials, 2012Co-Authors: M. M. Kurbanov, M M Gojaev, S D Mamedov, A B Magerramov, E G MamedovAbstract:The thermal expansion coefficient, Isothermal Compressibility, and photoconductivity of the (TlGaSe2)0.9(TlInS2)0.1 and (TlGaSe2)0.8(TlInS2)0.2 solid solutions have been measured as a function of temperature. The measurement results have been used to evaluate the Debye characteristic temperature and band gap temperature coefficient of the solid solutions. It is shown that an increase in their thermal expansion coefficient is accompanied by a decrease in their band gap temperature coefficient.
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Thermal expansion and Isothermal Compressibility of TlGaSe2(1 −x)S2x (x = 0.1, 0.2)
Inorganic Materials, 2008Co-Authors: M. M. KurbanovAbstract:The temperature dependences of the thermal expansion coefficient and Isothermal Compressibility for TlGaSe2(1 − x)S2x (x = 0.1, 0.2) solid solutions show an anomaly attributable to a second-order phase transition. The thermal expansion data have been used to evaluate the Debye characteristic temperature Θ, rms atomic displacement, and specific heat difference of the solid solutions.
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Thermal Expansion and Isothermal Compressibility of TlGaTe2
Inorganic Materials, 2005Co-Authors: M. M. KurbanovAbstract:The thermal expansion and Isothermal Compressibility of TlGaS2 were measured between 77 K and room temperature. No anomalies in the temperature dependences of these properties were detected. The experimental data were used to evaluate the Debye temperature, rms dynamic atomic displacements, the difference between the specific heats at constant pressure and constant volume (Cp – CV), and the Gruneisen parameter. The appreciable discrepancy between the Cp – CV values calculated using thermodynamic relations and an empirical formula is attributed to the pronounced anisotropy of TlGaS2.
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Isothermal Compressibility and Elastic Properties of TlInS 2 –TlDyS 2 Alloys
Inorganic Materials, 2003Co-Authors: G. I. Zeinalov, M. M. Kurbanov, V. A. Gadzhiev, N. S. SardarovaAbstract:The Isothermal Compressibility of TlIn1 – xDyxS2 (x= 0.01, 0.02, 0.05, 0.08) solid solutions is measured in the range 77–400 K and is found to increase with temperature. The Compressibility data are used to evaluate the shear modulus, Young's modulus, Poisson's ratio, and longitudinal ultrasound velocity of the solid solutions. The elastic constants of TlIn1 – xDyxS2 are shown to increase with Dy content, which is attributable to a weakening of chemical bonding.
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Isothermal Compressibility and elastic properties of tlins 2 tldys 2 alloys
Inorganic Materials, 2003Co-Authors: G. I. Zeinalov, M. M. Kurbanov, V. A. Gadzhiev, N. S. SardarovaAbstract:The Isothermal Compressibility of TlIn1 – xDyxS2 (x= 0.01, 0.02, 0.05, 0.08) solid solutions is measured in the range 77–400 K and is found to increase with temperature. The Compressibility data are used to evaluate the shear modulus, Young's modulus, Poisson's ratio, and longitudinal ultrasound velocity of the solid solutions. The elastic constants of TlIn1 – xDyxS2 are shown to increase with Dy content, which is attributable to a weakening of chemical bonding.
S D Overduin - One of the best experts on this subject based on the ideXlab platform.
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understanding the structure factor and Isothermal Compressibility of ambient water in terms of local structural environments
Journal of Physical Chemistry B, 2012Co-Authors: S D Overduin, G N PateyAbstract:We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effective attractive interactions between molecules with similar local environments and effective repulsive interactions between molecules with different local environments. These effective interactions lead to significant concentration fluctuations under ambient conditions. The concentration fluctuations correlate with density fluctuations, and provide an explanation for the recently reported (Huang et al. Proc. Natl. Acad. Sci. U.S.A.2009, 36, 15214) increase in the structure factor at small wavenumber, as well as for the well-known anomalous temperature dependence of the Isothermal Compressibility.
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understanding the structure factor and Isothermal Compressibility of ambient water in terms of local structural environments b
The Journal of Physical Chemistry, 2012Co-Authors: S D Overduin, G N PateyAbstract:We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effective attractive interactions between molecules with similar local environments and effective repulsive interactions between molecules with different local environments. These effective interactions lead to significant concentration fluctuations under ambient conditions. The concentration fluctuations correlate with density fluctuations, and provide an explanation for the recently reported (Huang et al. Proc. Natl. Acad. Sci. U.S.A.2009, 36, 15214) increase in the structure factor at small wavenumber, as well as for the well-known anomalous temperature dependence of the Isothermal Compressibility.
Weize Wu - One of the best experts on this subject based on the ideXlab platform.
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phase behavior densities and Isothermal Compressibility of carbon dioxide dimethyl carbonate
Journal of Chemical & Engineering Data, 2010Co-Authors: Xiaoting Chen, Zhangzuo Song, Weize WuAbstract:The phase behavior and critical parameters of (CO2 + CH3CO3CH3) have been determined using a high-pressure, variable-volume view cell, and their densities have also been measured in sub- or supercritical regions. The Isothermal Compressibility, KT, was calculated from the density of the binary mixtures. The transition points, bubble point, dew point, and critical point, have been measured with concentrations of dimethyl carbonate from mole fractions of (0.0242 to 0.1484), temperatures from (308.15 to 337.45) K, and pressures from (6.16 to 16.67) MPa. It is demonstrated that the density and KT are sensitive to the pressure as the pressure gets close to the critical point of the binary mixtures. KT also increases sharply when the pressure approaches the dew points or bubble points at other compositions near the critical composition. When the pressure is much higher than the phase transition pressure or the composition is far from the critical composition, KT is rather small, and the effect of pressure on KT...
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phase behavior densities and Isothermal Compressibility of co2 γ valerolactone systems in various phase regions
Journal of Chemical & Engineering Data, 2009Co-Authors: Weize Wu, Martyn PoliakoffAbstract:The phase behavior of CO2 and γ-valerolactone (GVL) has been measured using a high-pressure variable-volume view cell and a fiber optic reflectometer. The density of the binary mixture has also been measured, and the Isothermal Compressibility (KT) of the binary mixture was calculated from the density of the binary mixture. The phase transition points, bubble point, dew point, and critical point, have been measured on the range of GVL mole fraction from 0.01 to 0.15 and temperatures from (308.2 to 550.2) K. The density of the mixture is sensitive to the pressure near the critical point of the mixtures, and KT is also sensitive to the pressure when the pressure is close to the phase transition point, especially close to the critical point. When the pressure is much higher than the phase separation pressure or the composition is far from the critical composition, KT is very small and the effect of pressure on KT is very limited. The phase boundary data of the binary mixture can be correlated well by the Pen...
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phase behavior densities and Isothermal Compressibility of the co2 ethanol dichloromethane ternary system in different phase regions
Journal of Chemical & Engineering Data, 2005Co-Authors: Bo Wang, Weize Wu, Jiawei Chen, Zhaofu Zhang, Dong Shen, Rui ZhangAbstract:The phase behavior and critical parameters of the CO2 (1) + ethanol (2) + dichloromethane (3) ternary system were determined, and the density of the mixtures was measured in both the subcritical and supercritical regions of the system. The Isothermal Compressibility (KT) under some typical conditions was calculated using the density data. The data were also calculated using the Peng−Robinson equation of state (PR EOS). The results showed that the density of the mixtures at fixed composition and temperature is very sensitive to pressure as the pressure approaches critical, bubble, and dew pressures in the critical regions (both temperature and composition are close to the critical point of the mixtures). However, the effect of pressure on the density of a subcritical fluid is very limited over the whole pressure range because the composition of the mixture is far from the critical composition.
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phase behavior densities and Isothermal Compressibility of the co2 pentane acetone ternary system in various phase regions
Journal of Chemical & Engineering Data, 2004Co-Authors: Jiawei Chen, Jun He, Weize Wu, Tao Jiang, Ying Huang, And Guanying YangAbstract:The phase behavior and critical parameters of the CO2 (1) + pentane (2) + acetone (3) ternary system with different compositions were determined experimentally, and their densities were measured in both the subcritical and supercritical (SC) regions. The Isothermal Compressibility (KT) at some typical conditions was calculated using the density data. It is demonstrated that the density is sensitive to pressure as the pressure approaches the critical point of the mixtures, i.e, KT is large and increases sharply. KT also increases significantly as pressure approaches the dew point or the bubble point at other compositions close to the critical composition. However, KT is very small and is not sensitive to pressure well above the dew point or the bubble point. When the composition is far from the critical composition, KT has small values, and the effect of pressure on KT is very small, even near the phase-separation point.
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phase behavior densities and Isothermal Compressibility of co2 pentane and co2 acetone systems in various phase regions
Journal of Chemical & Engineering Data, 2003Co-Authors: Jiawei Chen, Weize Wu, Tiancheng Mu, Tao Jiang, Jimin DuAbstract:The phase behavior and critical parameters of CO2 (1) + pentane (2) and CO2 (1) + acetone (2) were determined experimentally, and their densities were measured in both the subcritical and supercritical regions. The Isothermal Compressibility (KT) was calculated using the density data. It is demonstrated that the density is sensitive to pressure as the pressure approaches the critical point of the mixtures, that is, KT is large and increases sharply. KT also increases significantly as the pressure approaches the dew point or the bubble point at other compositions close to the critical composition. However, KT is very small and is not sensitive to pressure well above the dew point or the bubble point. When the composition is far from the critical one, KT is fairly small and the effect of pressure on KT is very limited, even near the phase separation point.