We perform molecular dynamics simulations of glycerol (propane-1,2,3-triol) at normal pressure and a wide range of temperatures (300–460 K) and study the sensitivity of simulation results to the force field (FF) considered. D.R. Glycerol weighs 1.2613 gram per cubic centimeter or 1 261.3 kilogram per cubic meter, i.e. As mentioned before (13-15), according to Fort and Moore (21), a negative excess volume is an indication of strong heteromolecular interactions in the liquid mixtures and is attributed to charge transfer, dipole-dipole, dipole-induced dipole interactions, and hydrogen bonding between the unlike components, while a positive sign indicates a weak interaction and is attributed to dispersion forces (London interactions) which are likely to be operative in all cases.

Sharp, J.M. mass = density × volume = 750 × 2 = 1500 Kg. [ Links ], 6. While every effort is made to ensure the accuracy of the information provided on this website, neither this website nor its authors are responsible for any errors or omissions, or for the results obtained from the use of this information. [ Links ], 25. Water-cosolvent mixtures have been used widely in pharmacy in order to increase the solubility of drugs poorly soluble in water during the design of homogeneous pharmaceutical dosage forms, such as syrups and elixirs, among others (1, 2). Table 6 summarizes the (θV 0 /θT) and α values for pure solvents and binary mixtures varying in mole fractions near to 0.05, whereas Figure 5 shows the volume thermal expansion coefficients at 298.15 K. For all mixtures and pure solvents, linear model were used, in which obtained determination coefficients are greater than 0.999, except for water where quadratic model has been obtained. 3 Drug Applied Research Center and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran. Solution Chem., 33, 169 (2004). Heat transfer analysis in an uncoiled model of the cochlea during magnetic cochlear implant surgery. (Tokyo), 58, 219 (2010). Glycerol (/ ˈ ɡ l ɪ s ə r ɒ l /; also called glycerine or glycerin) is a simple polyol compound. 1081-1082. Files available from the ACS website may be downloaded for personal use only. Instead, in the cases of OPLS1 and OPLS2-FFs, D(T) is underestimated by approximately 2 orders of magnitude. D.V. [ Links ], 11. So, plugging these values in the formula above, we get: There are other ways to convert from volume to mass.

D.C. Pérez, C.C. In a first approach this fact would be explained in terms of water-structure loosing by addition of glycerol. Moreover, some differences are found among the reported values.

[ Links ], 15. Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions. [ Links ], 9. The following equation was obtained for density correlation of mixtures of glycerol and water at different temperatures: The main advantage of the Jouyban-Acree model over Redlich-Kister equation is that it includes the effects of temperature in the model constants and provides the possibility of density predictions at other temperatures using interpolation technique, whereas the constants of the Redlich-Kister equation is only valid for one temperature. Farad. Glycerol (%I I00 99 98 97 06 85 94 93 92 91 90 89 88 87 9d 55 94 33 82 31 30 79 78 77 76 75 74 73 72 71 70 69 68 67 64 65 64 63 62 61 60 59 58 57 Jb. Variation of excess molar volume with temperature. Structural and transport properties and solubility parameter of graphene/glycerol nanofluids: A molecular dynamics simulation study. On the other hand, the excess volumes calculated from Eq. 1 Grupo de Investigaciones Farmacéutico-Fisicoquímicas, Departamento de Farmacia, Facultad de Ciencias, Universidad Nacional de Colombia, A.A. 14490, Bogotá, D.C., Colombia. This report expands widely the experimental volumetric information about the glycerol + water cosolvent system available nowadays because it includes the behavior at four temperatures commonly found in technological conditions. density of water. For example, mass in kg and volume in liters.

Juan C. Araque, Jeevapani J. Hettige, Claudio J. Margulis. Elastic properties of liquid and glassy propane-based alcohols under high pressure: the increasing role of hydrogen bonds in a homologous family. Very simple isn't it? (28) made a calorimetric study on heat of mixing of glycerol and water founding excess molar enthalpies negative in all the mixtures studied at 298.15 K (from 298.15 K to 338.15 K). Specifically, for FFs i and ii and OPLS3, the values of D(T) are remarkably close to the experimental values over the whole range of temperatures studied. Insight From Molecular Dynamics Simulations on the Crystallization Tendency of Indomethacin Polymorphs in the Undercooled Liquid State. Chem. [ Links ], 8. The specific gravity of PG, the density of which is 1.037 at 77°F (25°C), when compared to water, which has density of 0.997 at 77°F (25°C), could be calculated as follows:

Data correlation using the Jouyban-Acree model. Quím. Table 2 summarizes the molar volumes (V 0 ) for the binary mixtures at all temperatures. Results for salinities I, III and V as a function of glycerol concentration and temperature are graphically displayed in Fig.

density of water. The variation coefficients are greater than 0.99 which indicate that the obtained regular polynomials regressions describe adequately the excess volumes, because the standard deviations are similar to those presented in the literature for other mixtures (8, 10-15). 101-103.

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density of glycerol at different temperatures

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[ Links ], 4. The densities of all six brine/glycerol mixtures at different levels of salinity and temperature are listed in Table 3. Fakhree, A. Jouyban, Volumetric properties of the glycerol formal + water cosolvent system and correlation with the Jouyban-Acree model, Phys. 9 could be used to predict the density of saturated solutions of a drug dissolved in glycerol + water mixtures employing the experimental densities of saturated solutions in glycerol and water as described in more details for other systems in a previous paper (9). 61-66. Finally, we can generalize this formula any units of mass and volume, since we know how to find the values for mcf and vcf (Check the factor tables below). Effects of Temperature on the Properties of Glycerol: A Computer Simulation Study of Five Different Force Fields, Department of Physics, Brooklyn College of the City University of New York, 2900 Bedford Avenue, Brooklyn, New York 11210, United States. All FFs indicate that the conformer population varies smoothly with temperature. 180-235. Chun, "Physical Chemical Principles in the Pharmaceutical Sciences", 4 th ed., Lea & Febiger, Philadelphia, 1993. DOW Chemical Company, Density of Glycerin-Water Solutions, Table, accessed on April, 2011.URL: http://msdssearch.dow.com/PublishedLiteratureDOWCOM/dh_0032/0901b80380032282.pdf?filepath=glycerine/pdfs/noreg/115-00656.pdf&fromPage=GetDoc        [ Links ], 17. J.M. S.J. Glycerol weighs 1.2613 gram per cubic centimeter or 1 261.3 kilogram per cubic meter, i.e. That is exactly the formula that we use in this calculator. A computer simulation study.

We perform molecular dynamics simulations of glycerol (propane-1,2,3-triol) at normal pressure and a wide range of temperatures (300–460 K) and study the sensitivity of simulation results to the force field (FF) considered. D.R. Glycerol weighs 1.2613 gram per cubic centimeter or 1 261.3 kilogram per cubic meter, i.e. As mentioned before (13-15), according to Fort and Moore (21), a negative excess volume is an indication of strong heteromolecular interactions in the liquid mixtures and is attributed to charge transfer, dipole-dipole, dipole-induced dipole interactions, and hydrogen bonding between the unlike components, while a positive sign indicates a weak interaction and is attributed to dispersion forces (London interactions) which are likely to be operative in all cases.

Sharp, J.M. mass = density × volume = 750 × 2 = 1500 Kg. [ Links ], 6. While every effort is made to ensure the accuracy of the information provided on this website, neither this website nor its authors are responsible for any errors or omissions, or for the results obtained from the use of this information. [ Links ], 25. Water-cosolvent mixtures have been used widely in pharmacy in order to increase the solubility of drugs poorly soluble in water during the design of homogeneous pharmaceutical dosage forms, such as syrups and elixirs, among others (1, 2). Table 6 summarizes the (θV 0 /θT) and α values for pure solvents and binary mixtures varying in mole fractions near to 0.05, whereas Figure 5 shows the volume thermal expansion coefficients at 298.15 K. For all mixtures and pure solvents, linear model were used, in which obtained determination coefficients are greater than 0.999, except for water where quadratic model has been obtained. 3 Drug Applied Research Center and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran. Solution Chem., 33, 169 (2004). Heat transfer analysis in an uncoiled model of the cochlea during magnetic cochlear implant surgery. (Tokyo), 58, 219 (2010). Glycerol (/ ˈ ɡ l ɪ s ə r ɒ l /; also called glycerine or glycerin) is a simple polyol compound. 1081-1082. Files available from the ACS website may be downloaded for personal use only. Instead, in the cases of OPLS1 and OPLS2-FFs, D(T) is underestimated by approximately 2 orders of magnitude. D.V. [ Links ], 11. So, plugging these values in the formula above, we get: There are other ways to convert from volume to mass.

D.C. Pérez, C.C. In a first approach this fact would be explained in terms of water-structure loosing by addition of glycerol. Moreover, some differences are found among the reported values.

[ Links ], 15. Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions. [ Links ], 9. The following equation was obtained for density correlation of mixtures of glycerol and water at different temperatures: The main advantage of the Jouyban-Acree model over Redlich-Kister equation is that it includes the effects of temperature in the model constants and provides the possibility of density predictions at other temperatures using interpolation technique, whereas the constants of the Redlich-Kister equation is only valid for one temperature. Farad. Glycerol (%I I00 99 98 97 06 85 94 93 92 91 90 89 88 87 9d 55 94 33 82 31 30 79 78 77 76 75 74 73 72 71 70 69 68 67 64 65 64 63 62 61 60 59 58 57 Jb. Variation of excess molar volume with temperature. Structural and transport properties and solubility parameter of graphene/glycerol nanofluids: A molecular dynamics simulation study. On the other hand, the excess volumes calculated from Eq. 1 Grupo de Investigaciones Farmacéutico-Fisicoquímicas, Departamento de Farmacia, Facultad de Ciencias, Universidad Nacional de Colombia, A.A. 14490, Bogotá, D.C., Colombia. This report expands widely the experimental volumetric information about the glycerol + water cosolvent system available nowadays because it includes the behavior at four temperatures commonly found in technological conditions. density of water. For example, mass in kg and volume in liters.

Juan C. Araque, Jeevapani J. Hettige, Claudio J. Margulis. Elastic properties of liquid and glassy propane-based alcohols under high pressure: the increasing role of hydrogen bonds in a homologous family. Very simple isn't it? (28) made a calorimetric study on heat of mixing of glycerol and water founding excess molar enthalpies negative in all the mixtures studied at 298.15 K (from 298.15 K to 338.15 K). Specifically, for FFs i and ii and OPLS3, the values of D(T) are remarkably close to the experimental values over the whole range of temperatures studied. Insight From Molecular Dynamics Simulations on the Crystallization Tendency of Indomethacin Polymorphs in the Undercooled Liquid State. Chem. [ Links ], 8. The specific gravity of PG, the density of which is 1.037 at 77°F (25°C), when compared to water, which has density of 0.997 at 77°F (25°C), could be calculated as follows:

Data correlation using the Jouyban-Acree model. Quím. Table 2 summarizes the molar volumes (V 0 ) for the binary mixtures at all temperatures. Results for salinities I, III and V as a function of glycerol concentration and temperature are graphically displayed in Fig.

density of water. The variation coefficients are greater than 0.99 which indicate that the obtained regular polynomials regressions describe adequately the excess volumes, because the standard deviations are similar to those presented in the literature for other mixtures (8, 10-15). 101-103.

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