7 research outputs found
Measurements Of The Molar Heat Capacities And Excess Molar Heat Capacities For Acetonitrile + Diethylamine Or Sec-butylamine Mixtures At Various Temperatures And Atmospheric Pressure
No full textAs a continuation of our studies of the excess functions of binary systems containing acetonitrile (1-x)-amines (x) mixtures, the molar heat capacity, Cp, and excess molar heat capacity, Cp E, of acetonitrile + diethylamine or sec-butylamine mixtures have been determined as a function of composition at 288.15, 293.15, 298.15 and 303.15 K at atmospheric pressure using a modified 1455 PARR solution calorimeter. The excess heat capacity data are positive for both systems over the whole composition range. The experimental data on the excess molar heat capacity are discussed in terms of the influence of the magnitude of the experimental excess molar enthalpy, H E, over the curve shaped for the experimental Cp E data, molecular interactions in the mixtures, isomeric effect of the amines and modeling of Cp E data. © Springer Science+Business Media, LLC 2007.367913922Reimann, R., Heintz, A., Thermodynamic excess properties of alkanol + amine mixtures and application of the ERAS model (1991) J. Solution Chem, 20, pp. 29-37Funke, H., Wetzel, M., Heintz, A., New applications of the ERAS-Model. Thermodynamics of amine + alkane and alcohol + amine mixtures (1989) Pure Appl. Chem, 8, pp. 1429-1439Matteoli, E., Lepori, L., Spanedda, A.: Thermodynamic study of heptane + amine mixtures: I. Excess and solvation enthalpies at 298.15 K. Fluid Phase Equilib. 212, 41-52 (2003)Pina, C.G., Francesconi, A.Z., New applications of the ERAS-model: Excess volumes of binary liquid mixtures of 1-alkanols with acetonitrile (1998) Fluid Phase Equilib, 143, pp. 142-152Zapata, R.B., Villa, A.L., Correa, C.M., Liquid-liquid equilibrium for the water + acetonitrile + limonene system at different temperatures (2005) J. Chem. Eng. Data, 50, pp. 1353-1356Kozak, A., Czaja, M., Chmurzynski, L., Studies on (acid + base) equilibria in substituded (phenol + n-butylamine) systems in acetonitrile (2005) J. Chem. Thermodyn, 37, pp. 810-813Pathak, G., Adyanthaya, S.D., Patil, K.R., Pradhan, S.D., Excess enthalpies and excess volumes of mixing for mixtures of isomeric butyl amines and acetonitrile (1994) Thermochim. Acta, 236, pp. 123-130Torres, R.B., Francesconi, A.Z.: Application of the ERAS-model to binary mixtures of diethylamine and s-butylamine with acetonitrile in the temperature range (288.15-303.15) K. Fluid Phase Equilib. 200, 317-328 (2002)Checoni, R.F., Francesconi, A.Z., Measurement and correlation of excess molar enthalpy at various temperatures - acetonitrile + diethylamine or s-butylamine mixtures (2005) J. Therm. Analysis Calorim, 80, pp. 295-301Checoni, R.F., Francesconi, A.Z., Partial molar enthalpy properties and correlation of excess molar enthalpy data of acetonitrile + diethylamine or s-butylamine mixtures at various temperatures and atmospheric pressure (2006) Thermochim. Acta, 450, pp. 126-131Tamura, K., Excess heat capacities of the mixtures containing methylcyclohexane at 298.15 K (2001) Fluid Phase Equilib, 182, pp. 303-312Nishimoto, M., Tamura, T., Murakami, S., Excess isobaric heat capacity, density and speed of sound of {xCF3CH2OH + (1 - x)CH 3CN} at the temperature 308.15 K (1997) J. Chem. Thermodyn, 29, pp. 15-22Piñeiro, A., Excess volumes and isobaric heat capacities of diisopropyl ether with alkanols at 298.15 K: Application of the symmetrical extended real associated solution model (2004) Fluid Phase Equilib, 216, pp. 245-256Hanks, R.W., Christensen, J.J.: The prediction of multicomponent vapor-liquid equilibria from binary heats of mixing. I. Chem. Symp. Ser. 56, 31-48 (1980)Murty, A.K.S., Zudkevitch, D.: Effect of heat of mixing and vapor-liquid equilibrium on design, performance andeconomics of distillation. I. Chem. Symp. Ser. 56, 51-77 (1980)Lide, D.R., (2005) Handbook of Chemistry and Physics, , CRC Press, Boca RatonNagamachi, M.Y., (2001) Experimental measurements and model to excess properties of aqueous systems with specific interactions, , Ph.D. Thesis, UNICAMP, CampinasOgawa, H., Murakami, S., Excess isobaric heat capacities for water + alkanols mixtures at 298.15 K (1986) Thermochim. Acta, 109, pp. 145-154Saint-Victor, M.E., Patterson, D., The w-shape concentration dependence of CpE and solution non-randomness: Ketones + normal and branched alkanes (1987) Fluid Phase Equilib, 35, pp. 237-252Andreolli-Ball, L., Costas, M., Paquet, P., Patterson, D., Saint-Victor, M.E., Heat capacity and structure in strongly-interacting systems (1989) Pure Appl. Chem, 61 (6), pp. 1075-1084Nishikawa, K., Tamura, K., Murakami, S., Excess thermodynamic properties of (xc-C6H10O + (1 - x)(n-C7H16 or c-C6H120} at T = 298.15 K (1998) J. Chem. Thermodyn, 30, pp. 229-240Nakamura, M., Tamura, K., Murakami, S., Isotope effects on thermodynamic properties: Mixtures of x(D2O or H2O) + (1 - x)(CH 3CN) at 298.15 K (1995) Thermochim. Acta, 253, pp. 127-136Tamura, K., Osaki, A., Murakami, S., Ohji, H., Ogawa, H., Laurent, B., Grolier, J.-P.E., Thermodynamic properties of binary mixtures {an alkoxyethanol + n-octane}. Excess molar enthalpies and excess molar heat capacities at 298.15 K (1999) Fluid Phase Equilib, 156, pp. 137-147Aucouturier, C., Roux-Desgranges, G., Roux, A.H., Excess molar volumes and excess molar heat capacities of (polyethylene glycols + water) at temperatures between T = 278 K and T = 328 K (1999) J. Chem. Thermodyn, 31, pp. 289-300Nan, Z., Liu, B., Tan, Z., Calorimetric investigation of excess molar heat capacities for water + ethylene glycol from T = 273.15 to T = 373.15 K (2002) J. Chem. Thermodyn, 34, pp. 915-926Grolier, J.-P.E., Wilhelm, E., Excess volume and excess heat capacities of water + ethanol at 298.15 K (1981) Fluid Phase Equilib, 6, pp. 283-287Springer, C.S., Meek, D.W., A nuclear magnetic resonance study of diethylamine hydrogen bonding (1966) J. Phys. Chem, 70, pp. 481-186Gepert, M., Zorebski, E.: Leszczynska, A. : Is Flory's model the best tool for studying the thermodynamic properties of any kind of binary mixtures'? A critical study of selected systems of hydrocarbons. Fluid Phase Equilib. 233, 157-169 (2005)Patterson, D., Structure and the thermodynamics of non-electrolyte mixtures (1995) Thermochim. Acta, 267, pp. 15-27Cobos, J.C., An exact quasi-chemical equation for excess heat capacity with W-shaped concentration dependence (1997) Fluid Phase Equilib, 133, pp. 105-127Guggenheim, E.A., (1952) Mixtures, pp. 29-87. , Clarendon Press, OxfordTroncoso, J., Cerdeiriña, C.A., Carballo, E., Romani, L., Quantitative analysis of the W-shaped excess heat capacities of binary liquid mixtures in the light of the local composition concept (2005) Fluid Phase Equilib, 235, pp. 201-21
Excess Molar Enthalpy For Methanol, Ethanol, 1-propanol, 1-butanol + N-butylamine Mixtures At 288.15 And 308.15 K At Atmospheric Pressure : Measurements And Modeling Using Eras Model
No full textExperimental data of excess molar enthalpy (H mE ) of binary liquid mixtures containing (methanol or ethanol or 1-propanol, or 1-butanol) + n-butylamine mixtures have been determined as a function of composition at temperatures 288.15 and 308.15 K, at atmospheric pressure, using a modified 1455 PARR mixture calorimeter. The H mE values are negative for both systems over the whole composition range. The applicability of the ERAS Model to correlate H mE of mixtures studied is tested, and the agreement between experimental and theoretical results is satisfactory. The model results are discussed in terms of the cross-association interactions with temperature variation as well as in terms of the variation of the carbon chain in the alcohols presents in the mixtures. © 2009 Akadémiai Kiadó, Budapest, Hungary.1011349357Heintz, A., Papaioannou, D., Excess enthalpies of alcohol + amine mixtures. Experimental results and theoretical description using the ERAS-Model (1998) Thermochim Acta, 210, pp. 69-76. , 10.1016/S0040-6031(97)00224-4Gonzalez, J.A., Garcie De La Fuenta, I., Cobos, J.C., Thermodynamics of mixtures with strongly negative deviations from Raoult's law. Part 4. Application of the DISQUAC model to mixtures of 1-alkanols with primary or secondary linear amines. Comparison with Dortmund UNIFAC and ERAS results (2000) Fluid Phase Equilibria, 168 (1), pp. 31-58. , DOI 10.1016/S0378-3812(99)00326-XVilla, S., Riesco, N., Garcia De La Fuente, I., Gonzalez, J.A., Cobos, J.C., Thermodynamics of mixtures with strongly negative deviations from Raoult's law part 5. Excess molar volumes at 298.15 K for 1-alkanols + dipropylamine systems: Characterization in terms of the ERAS model (2001) Fluid Phase Equilibria, 190 (1-2), pp. 113-125. , DOI 10.1016/S0378-3812(01)00595-7, PII S0378381201005957Villa, S., Riesco, N., Garcia De La Fuente, I., Gonzalez, J.A., Cobos, J.C., Thermodynamics of mixtures with strongly negative deviations from Raoult's lawPart 6. Excess molar volumes at 298.15 K for 1-alkanols + dibutylamine systems. Characterization in terms of the ERAS model (2002) Fluid Phase Equilibria, 198 (2), pp. 313-329. , DOI 10.1016/S0378-3812(01)00808-1, PII S0378381201008081Funke, H., Wetzel, M., Heintz, A., New applications of the ERAS model. Thermodynamics of amine + alkane and alcohol + amine mixtures (1989) Pure Appl Chem, 61 (8), pp. 1429-1439. , 10.1351/pac198961081429 1:CAS:528:DyaL1MXlvVajtrc%3DReimann, R., Heintz, A., Thermodynamic excess properties of alkanol + amine mixtures and application of the ERAS Model (1991) J Sol Chem, 20, pp. 29-37. , 10.1007/BF00651638 1:CAS:528:DyaK3MXhtlSnsLY%3DOswal, S.L., Desai, H.S., Studies of viscosity and excess molar volume of binary mixtures. 1. Propylamine + 1-alkanol mixtures at 303.15 and 313.15 K (1998) Fluid Phase Equilibria, 149 (1-2), pp. 359-376. , DOI 10.1016/S0378-3812(98)00318-5, PII S0378381298003185Oswal, S.L., Desai, H.S., Studies of viscosity and excess molar volume of binary mixtures: 3. 1-Alkanol + di-n-propylamine, and di-n-butylamine mixtures at 303.15 and 313.15 K (2001) Fluid Phase Equilib, 186, pp. 81-102. , 10.1016/S0378-3812(01)00504-0 1:CAS:528:DC%2BD3MXltlGgtLw%3DKwaterski, M., Rezanova, E.N., Lichtenthaler, R.N., Excess molar volumes and excess molar enthalpies of binary and ternary mixtures of (ethanol or 1-butanol), triethylamine and n-hexane (2005) Fluid Phase Equilibria, 237 (1-2), pp. 170-185. , DOI 10.1016/j.fluid.2005.08.001, PII S0378381205003079Checoni, R.F., Francesconi, A.Z., Measurements of excess molar enthalpy and excess molar heat capacity of (1-heptanol or 1-octanol) + (diethylamine or s-butylamine) mixtures at 298.15 K and 0.1 MPa (2009) J Therm Anal Calorim, 97 (2), pp. 747-753. , 10.1007/s10973-008-9602-1 1:CAS:528:DC%2BD1MXhtlWns7jFHeintz, A., A new theoretical approach for predicting excess properties of alkanol/alkane mixtures (1985) Ber Bunsenges Phys Chem, 89, pp. 172-181. , 1:CAS:528:DyaL2MXhtlyltLc%3DTorres, R.B., Francesconi, A.Z., Volpe, P.L.O., Experimental study and modelling using the ERAS-Model of the excess molar volume of acetonitrile-alkanol mixtures at different temperatures and atmospheric pressure (2003) Fluid Phase Equilibria, 210 (2), pp. 287-306. , DOI 10.1016/S0378-3812(03)00167-5(2004) CRC Handbook of Chemistry and Physics, , Lide DR (ed.). 85th ed. Boca Raton: CRC PressCheconi, R.F., Francesconi, A.Z., Measurement and correlation of excess molar enthalpy at various temperatures acetonitrile + diethylamine or s-butylamine mixtures (2005) Journal of Thermal Analysis and Calorimetry, 80 (2), pp. 295-301. , DOI 10.1007/s10973-005-0650-5Lama, R.F., Lu, B.C.Y., Excess thermodynamic properties of aqueous alcohol solutions (1965) J Chem Eng Data, 10, pp. 216-219. , 10.1021/je60026a003 1:CAS:528:DyaF2MXksFSitL8%3DBoyne, J.A., Williamson, A.G., Enthalpies of mixing of ethanol and water at 25 °c (1967) J Chem Eng Data, 12, pp. 318-319. , 10.1021/je60034a008 1:CAS:528:DyaF2sXkslKrs74%3DCostigan, M.J., Hodges, L.J., Marsh, K.N., Stokes, R.H., Tuxford, C.W., The isothermal displacement calorimeter: Design. Modifications for measuring exothermic enthalpies of mixing (1980) Aust J Chem, 33, pp. 2103-2119. , 1:CAS:528:DyaL3MXjsleqtA%3D%3DKretschmer, C.B., Wiebe, R., Thermodynamics of alcohol-hydrocarbon mixtures (1954) J Chem Phys, 22, pp. 1697-1701. , 10.1063/1.1739878 1:CAS:528:DyaG2MXmvV2jOrwoll, R.A., Flory, R.A., Vrij, A., Statistical thermodynamics of chain molecule liquids. I. An equation of state for normal paraffin hydrocarbons (1964) J Am Chem Soc, 86, pp. 3507-3514. , 10.1021/ja01071a023Nath, A., Bender, E., On the thermodynamics of associated solutions. I. Na analytical method for determining the enthalpy and entropy of association and equilibrium constant for pure liquid substances (1981) Fluid Phase Equilib, 7, pp. 275-287. , 10.1016/0378-3812(81)80012-X 1:CAS:528:DyaL38XnsFChtA%3D%3DRosenbrock, H.H., An automatic method for finding the greatest or least value of a function (1960) Comput J, 3, pp. 175-184. , 10.1093/comjnl/3.3.175Kuester, J.L., Mize, J.H., (1973) Optimization Techniques, , McGraw-Hill NYDuttachoudhury, H.B., Mathur, H.B., Heats of mixing of n-butylamine/water and n-butylamine/alcohol systems (1974) J Chem Eng Data, 19, pp. 145-147. , 10.1021/je60061a011 1:CAS:528:DyaE2cXktVKrsL0%3
Experimental Study Of The Excess Molar Volume Of Ternary Mixtures Containing {water + (1,2-propanediol, Or 1,3-propanediol, Or 1,2-butanediol, Or 1,3-butanediol, Or 1,4-butanediol, Or 2,3-butanediol) + Electrolytes} At A Temperature Of 298.15 K And Atmospheric Pressure
No full textExcess molar volumes (VmE) of ternary mixtures containing {water + (1,2-propanediol, or 1,3-propanediol, or 1,2-butanediol, or 1,3-butanediol, or 1,4-butanediol, or 2,3-butanediol) + (sodium bromide, or ammonium bromide, or tetraethyl ammonium bromide, or 1-n-butyl-3-methylimidazolium bromide)} at 0.1 mol per kilogram of (water + alkanediol), as well as the excess molar volume of these aqueous mixtures salt-free, both at a temperature of 298.15 K and atmospheric pressure, have been determined as a function of composition using a glass pycnometer (5.0 cm3) with thermometer-in-glass. The VmE are negative for all mixtures over the whole composition range. The influences of the electrolyte and of the hydrophobic and hydrophilic effects on the volumetric behavior are discussed. © 2009 Elsevier Ltd. All rights reserved.512123127George, J., Sastry, N.V., (2003) J. Chem. Eng. Data, 48, pp. 1529-1539Trohalaki, S., Pachter, R., Cummings, J.R., (1999) Energ. Fuels, 13, pp. 992-998Romero, C.M., Páez, M.S., (2007) J. Solut. Chem., 36, pp. 237-245Back, J.F., Oakenfull, D., Smith, M.B., (1979) Biochemistry, 18, pp. 5191-5196Checoni, R.F., Francesconi, A.Z., (2009) J. Solut. Chem., 38, pp. 1055-1070Yang, C., Ma, P., Zhou, Q., (2004) J. Chem. Eng. Data, 49, pp. 582-587Geyer, H., Ulbig, P., Görnert, M., Susanto, A., (2001) J. Chem. Thermodyn., 33, pp. 987-997Geyer, H., Ulbig, P., Görnert, M., (2000) J. Chem. Thermodyn., 32, pp. 1585-1996Hawrylak, B., Gracie, K., Palepu, R., (1998) J. Solut. Chem., 21, pp. 17-31Kapadi, U.R., Hundiwale, D.G., Patil, N.B., Lande, M.K., Patil, P.R., (2001) Fluid Phase Equilibr., 192, pp. 63-70Taniewska-Osinska, S., Pietrzak, A., (1997) J. Chem. Thermodyn., 29, pp. 1333-1341Taniewska-Osinska, S., Pietrzak, A., (1997) Fluid Phase Equilibr., 137, pp. 229-236Pietrzak, A., Nowicka, B., Taniewska-Osinska, S., (1995) Thermochim. Acta, 265, pp. 39-43French, R.N., Criss, C.M., (1982) J. Solut. Chem., 11, pp. 625-648Gaillon, L., Siriex-Plenet, J., Letellier, P., (2007) J. Solut. Chem., 33, pp. 1333-1347Nagamachi, M.Y., Francesconi, A.Z., (2006) J. Chem. Thermodyn., 38, pp. 461-466Takahashi, S., Nishi, N., (1995) Compds. Bull. Chem. Soc. Jpn., 68, pp. 539-546Jerie, K., Baranowski, A., Glinski, J., Orzechowski, K., (1999) J. Radioanal. Nucl. Chem., 241, pp. 265-27
Measurements Of Excess Molar Enthalpy And Excess Molar Heat Capacity Of (1-heptanol Or 1-octanol)+(diethylamine Or S-butylamine) Mixtures At 298.15 K And 0.1 Mpa
No full textExperimental data of excess molar enthalpy (H mE ) and excess molar heat capacity (C pmE ) of binary mixtures containing (1-heptanol or 1-octanol)+(diethylamine or s-butylamine) have been determined as a function of composition at 298.15 K and at 0.1 MPa using a modified 1455 Parr solution calorimeter. The excess molar enthalpy data are negative and show parabolic format over the whole composition range; however, the excess molar heat capacity values, whose curves show a S-shape, are positive in the 0.0 to 0.7 molar fraction range and negative between the molar fraction values 0.7 to 1.0. The applicability of the ERAS-model to correlate the excess molar enthalpy data was tested. The calculated data values are in good agreement with the experimental ones. The experimental behavior of H mE is interpreted in terms of specific interactions between 1-alkanol and amine molecules. © 2009 Akadémiai Kiadó, Budapest, Hungary.972747753Acronym; Sponsor: MBIE; National Science and Technology Development AgencyReimann, R., Heintz, A., (1991) J. Sol. Chem., 20, p. 29. , 10.1007/BF00651638 1:CAS:528:DyaK3MXhtlSnsLY%3DFunke, H., Wetzel, M., Heintz, A., (1989) Pure Appl. Chem., 8, p. 1429. , 10.1351/pac198961081429Matteoli, E., Lepori, L., Spanedda, A., Thermodynamic study of heptane + amine mixtures: I. Excess and solvation enthalpies at 298.15 K (2003) Fluid Phase Equilibria, 212 (1-2), pp. 41-52. , DOI 10.1016/S0378-3812(03)00260-7Pina, C.G., Francesconi, A.Z., (1998) Fluid Phase Equilib., 143, p. 142. , 10.1016/S0378-3812(97)00294-XTorres, R.B., Francesconi, A.Z., (2003) J. Mol. Liq., 103, p. 99. , 10.1016/S0167-7322(02)00129-0Torres, R.B., Pina, C.G., Francesconi, A.Z., (2003) J. Mol. Liquids, 107, p. 127. , 10.1016/S0167-7322(03)00145-4 1:CAS:528:DC%2BD3sXlsl2jur4%3DTorres, R.B., Francesconi, A.Z., Volpe, P.L.O., (2004) J. Mol. Liquids, 110, p. 81. , 10.1016/j.molliq.2003.09.003 1:CAS:528:DC%2BD2cXht12qtLk%3DGonzalez, J.A., La Fuentá, I.G., Cobos, J.C., Thermodynamics of mixtures with strongly negative deviations from Raoult's law. Part 4. Application of the DISQUAC model to mixtures of 1-alkanols with primary or secondary linear amines. Comparison with Dortmund UNIFAC and ERAS results (2000) Fluid Phase Equilibria, 168 (1), pp. 31-58. , DOI 10.1016/S0378-3812(99)00326-XTorres, R.B., Francesconi, A.Z., Application of the ERAS-Model to binary mixtures of diethylamine and s-butylamine with acetonitrile in the temperature range (288.15-303.15) K (2002) Fluid Phase Equilibria, 200 (2), pp. 317-328. , DOI 10.1016/S0378-3812(02)00042-0, PII S0378381202000420Torres, R.B., Francesconi, A.Z., Volpe, P.L.O., Experimental study and modelling using the ERAS-Model of the excess molar volume of acetonitrile-alkanol mixtures at different temperatures and atmospheric pressure (2003) Fluid Phase Equilibria, 210 (2), pp. 287-306. , DOI 10.1016/S0378-3812(03)00167-5Checoni, R.F., Francesconi, A.Z., (2005) J. Therm. Anal Cal., 80, p. 295. , 10.1007/s10973-005-0650-5 1:CAS:528:DC%2BD2MXjvVCmt78%3DCheconi, R.F., D'Agostini, L., Francesconi, A.Z., (2008) J. Chem. 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(1987) Fluid Phase Equilibria, 35 (1-3), pp. 237-252. , DOI 10.1016/0378-3812(87)80015-8Andreolli-Ball, L., Costas, M., Paquet, P., Patterson, D., Saint-Victor, M.E., (1989) Pure Appl. Chem., 61, p. 1075. , 10.1351/pac198961061075Troncoso, J., Cerdeirina, C.A., Carballo, E., Romani, L., Quantitative analysis of the W-shaped excess heat capacities of binary liquid mixtures in the light of the local composition concept (2005) Fluid Phase Equilibria, 235 (2), pp. 201-210. , DOI 10.1016/j.fluid.2005.07.005, PII S0378381205002402Nishikawa, K., Tamura, K., Murakami, S., (1998) J. Chem. Thermodyn., 30, p. 229. , 10.1006/jcht.1997.0296 1:CAS:528:DyaK1cXit1Sltbs%3DNakamura, M., Tamura, K., Murakami, S., (1995) Thermochim. Acta, 253, p. 127. , 10.1016/0040-6031(94)02086-4 1:CAS:528:DyaK2MXlsFGqsrk%3DTamura, K., Osaki, A., Murakami, S., Ohji, H., Ogawa, H., Laurent, B., Grolier, J.-P.E., Thermodynamic properties of binary mixtures {an alkoxyethanol + n- octane}. Excess molar enthalpies and excess molar heat capacities at 298.15 K (1999) Fluid Phase Equilibria, 156 (1-2), pp. 137-147. , DOI 10.1016/S0378-3812(99)00036-9, PII S037838129900036
Comparative Study Between Cubic And Non-cubic Equations Of State Using Carnahan-starling Repulsive Term: Application Of Temperature-dependent Alpha And Beta Functions
No full textStudies on phase equilibria data behavior of pure substances are motivation to the researchers due to importance of these data for the scientific and industrial applications. Several EOS were proposed and its modifications have been made, whose aim is to improve the correlation between experimental and calculated thermophysical properties. This work proposes a comparative study between the PVT calculated data using cubic and non-cubic equations of state, in which its original repulsive term is substituted by the Carnahan-Starling hard-sphere repulsive term; furthermore, generalized expression to calculate ?(Tr,?) and ?(Tr,?) functions are used. Experimental data of vapor pressure for various pure compounds were compared to the calculated vapor pressure data showing satisfactory agreement, when this proposed modification is employed.1712126Abbot, M.M., Thirteen ways of looking at the van der waals equation (1989) Chem. Eng. Progress, 2, pp. 25-37Soave, G., Equilibrium constants from a modified redlich-kwong equation of state (1972) Chem. Eng. Sci., 27, pp. 1197-1203Peng, D.-Y., Robinson, D.B., A new two-constant equation of state (1976) Ind. Eng. Chem. Fundam., 15, pp. 59-64Wei, Y.S., Sadus, R.J., Equations of state for the calculation of fluid phase equilibria (2000) AIChE J, 46, pp. 169-196Nasrifar, K., Moshfeghian, M., A new cubic equation of state for simple fluids: Pure and mixture (2001) Fluid Phase Equilibria, 190, pp. 73-88Twu, C.H., Coon, J.E., Cunninghan, J.R., A new generalized alpha function for a cubic equation of state part 1. 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Res., 26, pp. 601-606Mathias, P.M., Copeman, T.W., Extension of the peng-robinson equations of state to complex mixtures: Evaluation of the various forms of the local composition concept (1983) Fluid Phase Equilibria, 13, pp. 91-108Trebble, M.A., Bishnoi, P.R., Development of a new four-parameter cubic equation of state (1987) Fluid Phase Equilibria, 35, pp. 1-18Coquelet, C., Chapoy, A., Richon, D., Development of a new alpha function for the peng-robinson equation of state: Comparative study of alpha function models for pure gases (natural gas components) and water-gas systems (2004) Int. J. Thermophysics, 25, pp. 133-158Carnahan, N.F., Starling, K.E., Intermolecular repulsions and the equation of state for fluids (1972) AIChE J, 18, pp. 1184-1188De Santis, R., Gironi, F., Marrelli, L., Vapor-liquid equilibrium from a hard-sphere equation of state (1976) Ind. Eng. Chem. Res., 15, pp. 183-189Sadus, R.J., Equations of state for fluids: The dieterici approach revisited (2001) J. Chem. 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Studies About An Equation Of State For Pure Associated Fluids: Temperature Dependent Co-volume Accounting A Physically Consistent Repulsive Term
No full textStudies related to the development of equations of state (EOS) to represent thermophysical properties of pure compounds are considered as important tools for engineers to design and optimize industrial equipment and processes. Furthermore, these tools also contribute to amplify the researchers' knowledge related to molecular interaction types, in attempting to predict and correlate both energetic and volumetric effects existing in the compounds. From several equations of state existing, the cubic plus association (CPA) EOS are employed in the calculations of thermophysical properties of compounds, in which the molecular interactions occurring are the association type. In spite of good representation of these properties, it is possible to improve the predictive and correlative capability of the CPA EOS by substitution of terms whose physical meaning can be better. In this way, modifications of the cubic plus association equation of state are proposed: the original repulsive term is replaced by the Carnahan-Starling repulsion term; the attractive term is changed to an attraction term similar to the Peng-Robinson EOS. Furthermore, both attraction and repulsion terms are taken to be temperature dependent when alpha and beta functions are employed in calculations. All implementations make the equations of state non-cubic in relation to volume. Vapor pressure and liquid molar volumes of 1-alkanols (C1 to C10) and water were correlated to experimental data using this non-CPA-EOS format, and good agreement is observed. ©2013 International Journal of Thermodynamics.1612027Abbot, M.M., Thirteen ways of looking at the van der waals equation (1989) Chemical Engineering Progress, (2), pp. 25-37Beaton, C.F., Ambrose, D., Brunner, E., Chase, M.W., Downey, J.R., Hobson, G., Humphreys, A.E., Walton, J., Ortobaric densities and molar volumes of liquids, alcohols, engineering sciences data unit - ESDU (1989) Eng. Sci. Data, , Item Nr. 89037Beaton, C.F., Ambrose, D., Foxcroft, H.J., Hobson, G., Jamieson, D.T., Knight, S.R., Rowell, G.M., White Jr., H.J., Vapor pressures and critical points of liquids, alcohols, engineering sciences data unit - ESDU (1989) Eng. Sci. 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Thermodynamic Properties of 1:1 Salt Aqueous Solutions with the Electrolattice Equation of State Propriétés thermophysiques des solutions aqueuses de sels 1:1 avec l’équation d’état de réseau pour électrolytes
No full textThe electrolattice Equation of State (EOS) is a model that extends the MattediTavares-Castier EOS (MTC EOS) to systems with electrolytes. This model considers the effect of three terms. The first one is based on a lattice-hole model that considers local composition effects derived in the context of the generalized Van der Waals theory: the MTC EOS was chosen for this term. The second and the third terms are the Born and the MSA contributions, which take into account ion charging and discharging and long-range ionic interactions, respectively. Depending only on two energy interaction parameters, the model represents satisfactorily the vapor pressure and the mean ionic activity coefficient data of single aqueous solutions containing LiCI, LiBr, LiI, NaCl, NaBr, NaI, KCl, KBr, KI, CsCl, CsBr, CsI, or RbCI. Two methods are presented and contrasted: the salt-specific and the ion-specific approaches. Therefore, the aim of this work is to calculate thermodynamic properties that are extensively used to design, operate and optimize many industrial processes, including water desalination. L’équation d’état, dite électrolattice, est un modèle qui étend l’équation d’état de Mattedi-Tavares-Castier à des systèmes avec électrolytes. Ce modèle prend en compte l’effet de trois termes. Le premier terme est basé sur les trous dans le réseau en considérant les effets de la composition locale, étude effectuée dans le cadre de la théorie généralisée de Van der Waals : l’équation d’état de Mattedi-Tavares-Castier a été choisie pour ce premier terme. Les deuxième et troisième termes sont les contributions de Born et du MSA. Ils tiennent compte du chargement et du déchargement des ions, et des interactions ioniques à longue distance, respectivement. Le modèle n’ayant besoin que de deux paramètres d’interaction énergétique, il modélise de manière satisfaisante la pression de vapeur et le coefficient d’activité ionique moyenne pour des solutions aqueuses simples contenant du LiC1, LiBr, LiI, NaC1, NaBr, NaI, KC1, KBr, KI, CsCl, CsBr, CsI, ou du RbC1. Deux méthodes pour obtenir les paramètres du modèle sont présentées et mises en contraste : une méthode spécifique pour le sel en question et une autre basée sur les ions. Par conséquent, l’objectif de ce travail est de calculer les propriétés thermophysiques qui sont largement utilisées pour la conception, l���exploitation et l’optimisation de nombreux procédés industriels, parmi eux le dessalement de l’eau
