Modeling of vapor-liquid-solid equilibrium in gas - aqueous electrolyte systems

Abstract A thermodynamic model for the description of vapor–liquid–solid equilibria is introduced. This model is a combination of the extended UNIQUAC model for electrolytes and the Soave–Redlich–Kwong cubic equation of state. The model has been applied to aqueous systems containing ammonia and/or carbon dioxide along with various salts. Model parameters valid in the temperature range 0–110°C, the pressure range from 0–100 bar, and the concentration range up to approximately 80 molal ammonia are given. The model parameters were evaluated on the basis of more than 7000 experimental data points.

[1]  H. Ness,et al.  Vapor‐liquid equilibrium: Part V. Data reduction by maximum likelihood , 1978 .

[2]  G. Maurer,et al.  Das Dampf-Flüssigkeitsgleichgewicht des ternären Systems Ammoniak-Kohlendioxid-Wasser bei hohen Wassergehalten im Bereich zwischen 373 und 473 Kelvin , 1988 .

[3]  G. Maurer,et al.  Vapor—liquid equilibria in aqueous solutions of ammonia and carbon dioxide at temperatures between 333 and 393 K and pressures up to 7 MPa , 1988 .

[4]  Kaj Thomsen,et al.  Aqueous Electrolytes Model Parameters and Process Simulation , 1997 .

[5]  J. Prausnitz,et al.  Thermodynamic Properties of Gas Mixtures Containing Common Polar and Nonpolar Components , 1976 .

[6]  J. Shultz,et al.  The System Ammonium Nitrate–Ammonia–Water , 1946 .

[7]  J. Pablo,et al.  Thermodynamic modeling of concentrated multicomponent aqueous electrolyte and non-electrolyte solutions , 1995 .

[8]  J. Vera,et al.  Phase equilibria of concentrated aqueous solutions containing volatile strong electrolytes , 1976 .

[9]  A. Findlay,et al.  CLVI.—The influence of colloids and fine suspensions on the solubility of gases in water. Part II. Solubility of carbon dioxide and of hydrogen , 1912 .

[10]  J. Pablo,et al.  Thermodynamic modeling of concentrated aqueous electrolyte and nonelectrolyte solutions , 1995 .

[11]  S. Takenouchi,et al.  The binary system H 2 O-CO 2 at high temperatures and pressures , 1964 .

[12]  W. P. Haynes,et al.  Equilibrium study of the system potassium carbonate, potassium bicarbonate, carbon dioxide, and water , 1959 .

[13]  P. Brimblecombe,et al.  Solubility of ammonia in pure aqueous and multicomponent solutions , 1989 .

[14]  B. Rumpf,et al.  Solubility of carbon dioxide in aqueous solutions of ammonium chloride at temperatures from 313 K to 433 K and pressures up to 10 MPa , 1994 .

[15]  J. P. Riley,et al.  The solubility of gases in distilled water and sea water—IV. Carbon dioxide , 1971 .

[16]  E. Sada,et al.  Solubility of Carbon Dioxide in Aqueous Mixed-Salt Solutions , 1979 .

[17]  B. Rumpf,et al.  Solubility of ammonia in aqueous solutions of sodium sulfate and ammonium sulfate at temperatures from 333.15 K to 433.15 K and pressures up to 3 MPa , 1993 .

[18]  A. Mittasch,et al.  Dichten und Dampfdrucke von wäßrigen Ammoniaklösungen und von flüssigem Stickstofftetroxyd für das Temperatur-gebiet 0° bis 60° , 1927 .

[19]  P. Verbrugge Vapour-liquid equilibria of the ammonia-carbon dioxide-water system , 1979 .

[20]  Lawrence B. Evans,et al.  Extension and application of the pitzer equation for vapor‐liquid equilibrium of aqueous electrolyte systems with molecular solutes , 1979 .

[21]  Gustav Geffcken Beiträge zur Kenntnis der Löslichkeitsbeeinflussung , 1904 .

[22]  T. Guo,et al.  Solubilities of Methane, Nitrogen, Carbon Dioxide, and a Natural Gas Mixture in Aqueous Sodium Bicarbonate Solutions under High Pressure and Elevated Temperature , 1997 .

[23]  T. J. Edwards,et al.  Thermodynamics of aqueous solutions containing volatile weak electrolytes , 1975 .

[24]  Yuri I. Aristov,et al.  Vapor Pressure of (Potassium Hydroxide + Ammonia + Water) Solutions , 1995 .

[25]  Lawrence B. Evans,et al.  A local composition model for the excess Gibbs energy of aqueous electrolyte systems , 1986 .

[26]  I. I. Clifford,et al.  The System Ammonia–Water at Temperatures up to 150°C. and at Pressures up to Twenty Atmospheres. , 1932 .

[27]  B. Rumpf,et al.  An experimental investigation of the solubility of carbon dioxide in aqueous solutions containing sodium nitrate or ammonium nitrate at temperatures from 313 K to 433 K and pressures up to 10 MPa , 1997 .

[28]  Kenneth S. Pitzer,et al.  Thermodynamics of electrolytes. I. Theoretical basis and general equations , 1973 .

[29]  G. Schwab Gmelins Handbuch der anorganischen Chemie , 1928, Nature.

[30]  P. Munjal,et al.  Solubility of carbon dioxide in pure water, synthetic sea water, and synthetic sea water concentrates at -5.deg. to 25.deg. and 10- to 45-atm. pressure , 1970 .

[31]  J. Prausnitz,et al.  LOCAL COMPOSITIONS IN THERMODYNAMIC EXCESS FUNCTIONS FOR LIQUID MIXTURES , 1968 .

[32]  A. Zawisza,et al.  Solubility of carbon dioxide in liquid water and of water in gaseous carbon dioxide in the range 0.2-5 MPa and at temperatures up to 473 K , 1981 .

[33]  J. Morse,et al.  The carbonic acid system and calcite solubility in aqueous Na-K-Ca-Mg-Cl-SO4 solutions from 0 to 90°C , 1993 .

[34]  K. Kobe,et al.  The Solubility of Carbon Dioxide and Nitrous Oxide in Aqueous Salt Solutions , 1941 .

[35]  Rafiqul Gani,et al.  Correlation and prediction of thermal properties and phase behaviour for a class of aqueous electrolyte systems , 1996 .

[36]  Sir D. Orme Masson K.B.E. F.R.S XXVIII. Solute molecular volumes in relation to solvation and ionization , 1929 .

[37]  B. Rumpf,et al.  Simultaneous Solubility of Ammonia and Carbon-Dioxide in Aqueous-Solutions of Sodium-Sulfate in the Temperature-Range 313-393-K and Pressures Up to 3 MPa , 1995 .

[38]  A. Sieverts,et al.  Kaliumcarbonatlösungen und Kohlendioxyd. I , 1924 .

[39]  J. Prausnitz,et al.  Generalized Correlation for Fugacity Coefficients in Mixtures at Moderate Pressures. Application of Chemical Theory of Vapor Imperfections , 1973 .

[40]  B. Rumpf,et al.  An Experimental and Theoretical Investigation on the Solubility of Carbon Dioxide in Aqueous Solutions of Strong Electrolytes , 1993 .

[41]  B. Rumpf,et al.  Vapor-liquid and vapor-liquid-solid equilibria in the system ammonia-carbon dioxide-sodium chloride-water at temperatures from 313 to 393 K and pressures up to 3 MPa , 1996 .

[42]  Shigeharu Kito,et al.  SALTING-OUT PARAMETERS OF GAS SOLUBILITY IN AQUEOUS SALT SOLUTIONS , 1970 .

[43]  Syed S. H. Rizvi,et al.  Vapor-liquid equilibria in the ammonia-water system , 1987 .

[44]  Aage Fredenslund,et al.  Calculation of vapour-liquid equilibria in mixed solvent/salt systems using an extended UNIQUAC equation , 1986 .

[45]  John Newman,et al.  Vapor‐liquid equilibria in multicomponent aqueous solutions of volatile weak electrolytes , 1978 .

[46]  Bernd Rumpf,et al.  Enthalpy Changes upon Partial Evaporation of Aqueous Solutions Containing Ammonia and Carbon Dioxide , 1998 .

[47]  H. Weiser,et al.  Beitrag zur Kenntnis der Ammoniak‐Kohlensäureverbindungen im Gleichgewicht mit ihren wässerigen Lösungen , 1921, Zeitschrift für Elektrochemie und angewandte physikalische Chemie.

[48]  Takeshi Kobayashi,et al.  SOLUBILITY OF GASES IN AQUEOUS SOLUTIONS OF MIXED SALTS , 1970 .

[49]  B. Rumpf,et al.  Solubility of carbon dioxide in aqueous solutions of sodium chloride: Experimental results and correlation , 1994 .

[50]  P. Tremaine,et al.  The apparent molar heat capacity of aqueous hydrochloric acid from 10 to 140°C , 1986 .

[51]  V. A. Medvedev,et al.  CODATA key values for thermodynamics , 1989 .

[52]  Fumitake Yoshida,et al.  Solubility of carbon dioxide in aqueous electrolyte solutions , 1979 .

[53]  Bernd Rumpf,et al.  Vapor-liquid-solid equilibria in the system NH3CO2H2O from around 310 to 470 K: New experimental data and modeling , 1995 .

[54]  B. Rumpf,et al.  Simultaneous solubility of ammonia and carbon dioxide in aqueous solutions of ammonium sulfate and (ammonium sulfate+sodium sulfate) at temperatures from 313 K to 393 K and pressures to 10 MPa , 1996 .

[55]  O. Gressner,et al.  Ammonium , 1870, Encyclopedic Dictionary of Archaeology.

[56]  Raymond E. Davis,et al.  The Ionization Constant of Carbonic Acid in Water and the Solubility of Carbon Dioxide in Water and Aqueous Salt Solutions from 0 to 50 , 1943 .

[57]  O. Morgan,et al.  AN INVESTIGATION OF THE EQUILIBRIA EXISTING IN GAS-WATER SYSTEMS FORMING ELECTROLYTES , 1931 .