The Experts below are selected from a list of 252 Experts worldwide ranked by ideXlab platform
Takenao Yoshizaki - One of the best experts on this subject based on the ideXlab platform.
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a monte carlo study of the second Virial Coefficient of semiflexible ring polymers
Polymer Journal, 2010Co-Authors: Daichi Ida, Daisuke Nakatomi, Takenao YoshizakiAbstract:The effective volume VE excluded to a Kratky–Porod (KP) worm-like ring by the presence of another, resulting only from a topological interaction, was evaluated by Monte Carlo simulations. The quantity λVE/L2 proportional to the second Virial Coefficient A2 was shown to be a function only of λL with λ−1 the stiffness parameter of the KP ring and L its total contour length.
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A Monte Carlo Study of the Second Virial Coefficient of Semiflexible Regular Three-Arm Star Polymers
Polymer Journal, 2008Co-Authors: Takenao YoshizakiAbstract:A Monte Carlo Study of the Second Virial Coefficient of Semiflexible Regular Three-Arm Star Polymers
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Mean-square radius of gyration and second Virial Coefficient of poly(diisopropyl fumarate) in dilute solution
Polymer Journal, 2008Co-Authors: Masayuki Nakatsuji, Munehiro Hyakutake, Masashi Osa, Takenao YoshizakiAbstract:Mean-Square Radius of Gyration and Second Virial Coefficient of Poly(diisopropyl fumarate) in Dilute Solution
William W Wilson - One of the best experts on this subject based on the ideXlab platform.
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second Virial Coefficient studies of cosolvent induced protein self interaction
Biophysical Journal, 2005Co-Authors: Joseph J Valente, Kusum S Verma, Mark C Manning, William W Wilson, Charles S HenryAbstract:Protein self-interaction is important in protein crystal growth, solubilization, and aggregation, both in vitro and in vivo, as with protein misfolding diseases, such as Alzheimer's. Although second Virial Coefficient studies can supply invaluable quantitative information, their emergence as a systematic approach to evaluating protein self-interaction has been slowed by the limitations of traditional measurement methods, such as static light scattering. Comparatively, self-interaction chromatography is an inexpensive, high-throughput method of evaluating the osmotic second Virial Coefficient (B) of proteins in solution. In this work, we used self-interaction chromatography to measure B of lysozyme in the presence of various cosolvents, including sucrose, trehalose, mannitol, glycine, arginine, and combinations of arginine and glutamic acid and arginine and sucrose in an effort to develop a better fundamental understanding of protein self-interaction in complex cosolvent systems. All of these cosolvents, alone or in combination, increased B, indicating a reduction in intermolecular attraction. However, the magnitude of cosolvent-induced changes in B was found to be largely dependent on the ability to control long-range electrostatic repulsion. To the best of our knowledge, this work represents the most comprehensive Virial Coefficient study to date focusing on complex cosolvent-induced effects on the self-interaction of lysozyme.
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relation between the solubility of proteins in aqueous solutions and the second Virial Coefficient of the solution
Journal of Physical Chemistry B, 1999Co-Authors: C Haas, J Drenth, William W WilsonAbstract:In recent publications it was pointed out that there is a correlation between the observed values of the solubility of proteins in aqueous solutions and the second Virial Coefficient of the solution. In this paper we give a theoretical explanation of this relation. The derived theoretical expression describes the experimentally observed relation between solubility and Virial Coefficient quite accurately. It is concluded that a variation of the crystallization conditions has little effect on the anisotropy or the range of the interactions between the protein molecules. Analysis of the data for lysozyme indicates a strong anisotropy of the interactions between the molecules.
E Somuncu - One of the best experts on this subject based on the ideXlab platform.
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Fully Analytical Evaluation of Second Virial Coefficient with Stockmayer Potential and Its Applications
High Temperature, 2020Co-Authors: B A Mamedov, E SomuncuAbstract:In this study, fully analytical treatment for evaluating the second Virial Coefficient with Stockmayer potential is presented. This approach is based on the binomial expansion theorems and basic integrals for the analytical representation of the second Virial Coefficient. The presented relationships for the second Virial Coefficient over Stockmayer potential can be useful especially in the studies of the interaction of polar molecules with higher dipole moments. The usefulness of the method is confirmed by H_2O, NH_3, and CHCl_3 molecules. The obtained results of second Virial Coefficient are in good agreement with literature data.
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accurate assessment of the boyle temperature of nonpolar molecular gases using second Virial Coefficient with lennard jones 12 6 potential
Indian Journal of Physics, 2019Co-Authors: E SomuncuAbstract:We derived an efficient analytical formula to calculate the second Virial Coefficient in the Lennard-Jones (12-6) potential. The analytical formula is used to accurately evaluate the Boyle temperature. The Boyle temperature is determined for nonpolar molecules from the second Virial Coefficient, and the calculated results are compared with other studies. The accuracies of the second Virial Coefficient and the Boyle temperature are tested by their application to molecules $${\text{Kr}},$$ $${\text{Xe}},$$ $${\text{Ne}},$$ $${\text{Ar}},$$ $${\text{He}},$$ $${\text{H}}_{2} ,$$ $${\text{O}}_{2} ,$$ $${\text{F}}_{2} ,$$ $${\text{Cl}}_{2} ,$$ $${\text{I}}_{2} ,$$ $${\text{Br}}_{2} ,$$ $${\text{SF}}_{6} ,$$ $${\text{SO}}_{3} ,$$ $${\text{CH}}_{4} ,$$ $${\text{C}}_{2} {\text{H}}_{6} ,$$ $${\text{C}}_{3} {\text{H}}_{6} ,$$ $${\text{C}}_{5} {\text{H}}_{10} ,$$ $${\text{C}}_{4} {\text{H}}_{6} ,$$ $${\text{CO}}_{2} ,$$ $${\text{ClFO}}_{3} ,$$ $${\text{CCl}}_{4} ,$$ $${\text{SiH}}_{4} ,$$ $${\text{Ga}}\left( {{\text{CH}}_{3} } \right),$$ $${\text{Ga}}\left( {{\text{CH}}_{3} } \right)_{2}$$ and $${\text{Ga}}\left( {{\text{CH}}_{3} } \right)_{3}$$ . The obtained results for the second Virial Coefficient at a wide temperature range and the Boyle temperature are in good agreement with the known data available in the literature.
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Accurate assessment of the Boyle temperature of nonpolar molecular gases using second Virial Coefficient with Lennard-Jones (12-6) potential
Indian Journal of Physics, 2019Co-Authors: E SomuncuAbstract:We derived an efficient analytical formula to calculate the second Virial Coefficient in the Lennard-Jones (12-6) potential. The analytical formula is used to accurately evaluate the Boyle temperature. The Boyle temperature is determined for nonpolar molecules from the second Virial Coefficient, and the calculated results are compared with other studies. The accuracies of the second Virial Coefficient and the Boyle temperature are tested by their application to molecules $${\text{Kr}},$$ Kr , $${\text{Xe}},$$ Xe , $${\text{Ne}},$$ Ne , $${\text{Ar}},$$ Ar , $${\text{He}},$$ He , $${\text{H}}_{2} ,$$ H 2 , $${\text{O}}_{2} ,$$ O 2 , $${\text{F}}_{2} ,$$ F 2 , $${\text{Cl}}_{2} ,$$ Cl 2 , $${\text{I}}_{2} ,$$ I 2 , $${\text{Br}}_{2} ,$$ Br 2 , $${\text{SF}}_{6} ,$$ SF 6 , $${\text{SO}}_{3} ,$$ SO 3 , $${\text{CH}}_{4} ,$$ CH 4 , $${\text{C}}_{2} {\text{H}}_{6} ,$$ C 2 H 6 , $${\text{C}}_{3} {\text{H}}_{6} ,$$ C 3 H 6 , $${\text{C}}_{5} {\text{H}}_{10} ,$$ C 5 H 10 , $${\text{C}}_{4} {\text{H}}_{6} ,$$ C 4 H 6 , $${\text{CO}}_{2} ,$$ CO 2 , $${\text{ClFO}}_{3} ,$$ ClFO 3 , $${\text{CCl}}_{4} ,$$ CCl 4 , $${\text{SiH}}_{4} ,$$ SiH 4 , $${\text{Ga}}\left( {{\text{CH}}_{3} } \right),$$ Ga CH 3 , $${\text{Ga}}\left( {{\text{CH}}_{3} } \right)_{2}$$ Ga CH 3 2 and $${\text{Ga}}\left( {{\text{CH}}_{3} } \right)_{3}$$ Ga CH 3 3 . The obtained results for the second Virial Coefficient at a wide temperature range and the Boyle temperature are in good agreement with the known data available in the literature.
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analytical evaluation of zero pressure joule thomson Coefficient using second Virial Coefficient and its application
Journal of Mathematical Chemistry, 2017Co-Authors: B A Mamedov, E SomuncuAbstract:In this paper, we present an analytical procedure to evaluate the zero-pressure Joule–Thomson Coefficient using the second Virial Coefficient over the Lennard-Jones (12-6) potential. The analytical expressions are derived for the first and second derivatives of the second Virial Coefficient. The proposed formulae guarantee the accurate and fast calculation of the Joule–Thomson Coefficient. As an example of application, the analytical expression obtained is used to calculate results for the molecules He, Xe, \(N_2 \), \(H_2 \), \(O_2 \), \({\textit{CO}}\), \(C_2 H_4 \), \(C_3 H_8 \) and \(C_5 H_{12} \). The results obtained by the present analytical expression are found to be in good agreement with the data in the literature. The calculation of results will help to estimate the Joule–Thomson Coefficient with sufficient reliability and to determine the interaction potentials.
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accurate calculation of second Virial Coefficient of the exp 6 potential and its application
Physica A-statistical Mechanics and Its Applications, 2015Co-Authors: B A Mamedov, E SomuncuAbstract:In this study, a new approach to calculate the second Virial Coefficient of the Exp-6 potential is proposed. Over a wide temperature range, the calculated results of the second Virial Coefficient determined from Exp-6 potential are comparable with the calculations of second Virial Coefficient over Lennard-Jones (12-6) potential. As an example of application, the formulas obtained for second Virial Coefficient are calculated for molecules Kr,Xe,N2,Hg,CH4 and C2H6. The obtained results are in good agreement with the data available in the literature.
Iskender M. Askerov - One of the best experts on this subject based on the ideXlab platform.
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Theoretical calculation of Joule-Thomson Coefficient by using third Virial Coefficient
2017Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:The Joule-Thomson Coefficient has been theoretical investigated by using third Virial Coefficient. Established expressions enable us accurate and rapid calculations of Joule-Thomson Coefficient. As seen from numerical results the analytical expressions for third Virial Coefficients are a very useful, giving a very fast method to calculate other thermodynamics properties of gasses. As an example, the calculation results have been successfully tested by using various literature data.
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Theoretical calculation of Joule-Thomson Coefficient by using third Virial Coefficient
2017Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:The Joule-Thomson Coefficient has been theoretical investigated by using third Virial Coefficient. Established expressions enable us accurate and rapid calculations of Joule-Thomson Coefficient. As seen from numerical results the analytical expressions for third Virial Coefficients are a very useful, giving a very fast method to calculate other thermodynamics properties of gasses. As an example, the calculation results have been successfully tested by using various literature data.
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An efficient method for the determination of fourth Virial Coefficient with Lennard-Jones (12-6) potential and its application
2016Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:In this work, a new theoretical approach is proposed for calculating fourth Virial Coefficient with Leonard-Jones potential. The established algorithm can be used to evaluate the thermodynamics properties and the intermolecular interaction potentials of liquids and gases with an improved accuracy. Note that the evaluation of the high-order Virial Coefficients is very valuable for accurate calculation of thermodynamic parameters. By using the suggested method, the fourth Virial Coefficient of CH4, Ar,C2H6 and SF6 molecules are evaluated. The calculation results are useful for accurate interpretation of the experimental data and of the determination of related physical properties.
Bahtiyar A. Mamedov - One of the best experts on this subject based on the ideXlab platform.
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Theoretical calculation of Joule-Thomson Coefficient by using third Virial Coefficient
2017Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:The Joule-Thomson Coefficient has been theoretical investigated by using third Virial Coefficient. Established expressions enable us accurate and rapid calculations of Joule-Thomson Coefficient. As seen from numerical results the analytical expressions for third Virial Coefficients are a very useful, giving a very fast method to calculate other thermodynamics properties of gasses. As an example, the calculation results have been successfully tested by using various literature data.
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Theoretical calculation of Joule-Thomson Coefficient by using third Virial Coefficient
2017Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:The Joule-Thomson Coefficient has been theoretical investigated by using third Virial Coefficient. Established expressions enable us accurate and rapid calculations of Joule-Thomson Coefficient. As seen from numerical results the analytical expressions for third Virial Coefficients are a very useful, giving a very fast method to calculate other thermodynamics properties of gasses. As an example, the calculation results have been successfully tested by using various literature data.
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Analytical evaluation of zero-pressure Joule–Thomson Coefficient using second Virial Coefficient and its application
Journal of Mathematical Chemistry, 2017Co-Authors: Bahtiyar A. Mamedov, Elif SomuncuAbstract:In this paper, we present an analytical procedure to evaluate the zero-pressure Joule–Thomson Coefficient using the second Virial Coefficient over the Lennard-Jones (12-6) potential. The analytical expressions are derived for the first and second derivatives of the second Virial Coefficient. The proposed formulae guarantee the accurate and fast calculation of the Joule–Thomson Coefficient. As an example of application, the analytical expression obtained is used to calculate results for the molecules He , Xe , $$N_2 $$ N 2 , $$H_2 $$ H 2 , $$O_2 $$ O 2 , $${\textit{CO}}$$ CO , $$C_2 H_4 $$ C 2 H 4 , $$C_3 H_8 $$ C 3 H 8 and $$C_5 H_{12} $$ C 5 H 12 . The results obtained by the present analytical expression are found to be in good agreement with the data in the literature. The calculation of results will help to estimate the Joule–Thomson Coefficient with sufficient reliability and to determine the interaction potentials.
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An efficient method for the determination of fourth Virial Coefficient with Lennard-Jones (12-6) potential and its application
2016Co-Authors: Bahtiyar A. Mamedov, Elif Somuncu, Iskender M. AskerovAbstract:In this work, a new theoretical approach is proposed for calculating fourth Virial Coefficient with Leonard-Jones potential. The established algorithm can be used to evaluate the thermodynamics properties and the intermolecular interaction potentials of liquids and gases with an improved accuracy. Note that the evaluation of the high-order Virial Coefficients is very valuable for accurate calculation of thermodynamic parameters. By using the suggested method, the fourth Virial Coefficient of CH4, Ar,C2H6 and SF6 molecules are evaluated. The calculation results are useful for accurate interpretation of the experimental data and of the determination of related physical properties.
