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  • Journal article
    Humberg K, Richter M, Trusler JPM, Span Ret al., 2018,

    Measurement and modeling of the viscosity of (nitrogen + carbon dioxide) mixtures at temperatures from (253.15 to 473.15) K with pressures up to 2 MPa

    , Journal of Chemical Thermodynamics, Vol: 120, Pages: 191-204, ISSN: 0021-9614

    The viscosity of pure nitrogen and of three (nitrogen + carbon dioxide) mixtures was measured over the temperature range from (253.15 to 473.15) K with pressures up to 2 MPa utilizing a rotating-body viscometer. The relative combined expanded uncertainty (k = 2) in viscosity was estimated to be between (0.14 and 0.19)% for nitrogen. For the binary gas mixtures, the uncertainty ranged between (0.19 and 0.39)%. The new data for nitrogen show very good agreement with experimental data from the literature and with recent ab initio calculations. The experimental data for the binary mixtures were compared with an Extended Corresponding States (ECS) model as implemented in the NIST REFPROP 9.1 database. The relative deviations of the data from the model were generally found to increase in magnitude with increasing density and ranged between (−2.1 and 0.4)% near the greatest density studied. The experimental data were correlated using the modified Enskog theory for hard sphere mixtures correct to the second viscosity virial coefficient. In this analysis, the effective hard-sphere diameters determining (a) the zero-density viscosity and (b) the leading term in the radial distribution function at contact were correlated as functions of temperature. The resulting model was found to represent all measured data with absolute relative deviations < 0.3% for the binary mixtures and < 0.2% for the pure fluids. This implies that the model reproduces or predicts respectively all experimental viscosity data within their experimental uncertainties.

  • Journal article
    Li X, Peng C, Crawshaw JP, Maitland GC, Trusler JPMet al., 2017,

    The pH of CO<inf>2</inf>-saturated aqueous NaCl and NaHCO<inf>3</inf>solutions at temperatures between 308 K and 373 K at pressures up to 15 MPa

    , Fluid Phase Equilibria, Vol: 458, Pages: 253-263, ISSN: 0378-3812

    The pH is a critical variable for carbon storage in saline aquifers because it affects the reaction rate and equilibrium state of the reservoir rocks, thus influencing the rates of mineral dissolution or precipitation and the integrity of caprocks. In this work, high-pressure pH and Ag/AgCl-reference electrodes were used to measure the pH of CO 2 -saturated aqueous solutions of NaCl and NaHCO 3 . The expanded uncertainty of the pH measurements is 0.20 at 95% probability. For CO 2 -saturated NaCl(aq), measurements were carried out at total pressures from (0.37 to 15.3) MPa and temperatures from (308 to 373) K with NaCl molalities of (1, 3 and 5) mol·kg −1 . For CO 2 -saturated NaHCO 3 (aq), the pH was measured at total pressures from (0.2 to 15.3) MPa and temperatures from (308 to 353) K with NaHCO 3 molalities of (0.01, 0.1 and 1) mol·kg −1 . The pH was found to decrease with increase in pressure and with decrease in temperature for both CO 2 -saturated NaCl and NaHCO 3 solutions. For CO 2 -saturated NaCl(aq), the pH was observed to decrease with increase of salt molality, while for CO 2 -saturated NaHCO 3 , the opposite behaviour was observed. The results have been compared with predictions obtained from the PHREEQC geochemical simulator (version 3.3.9) incorporating the Pitzer activity-coefficient model with parameters taken from the literature. For CO 2 -saturated NaCl(aq), agreement to within ±0.2 pH units was observed in most cases, although deviations of up to 0.3 were found at the highest molality. In the case of CO 2 -saturated NaHCO 3 (aq), the experimental data were found to deviate increasingly from the model with increasing salt molality and, at 1 mol·kg −1 , the model underestimated the pH by between 0.3 and 0.7 units.

  • Journal article
    Patzschke CF, Zhang J, Fennell PS, Trusler JPMet al., 2017,

    Density and Viscosity of Partially Carbonated Aqueous Solutions Containing a Tertiary Alkanolamine and Piperazine at Temperatures between 298.15 and 353.15 K

    , Journal of Chemical and Engineering Data, Vol: 62, Pages: 2075-2083, ISSN: 0021-9568

    Measurements for the density and viscosity of partially carbonated solutions containing water, piperazine (PZ), and a tertiary amine, which was either dimethylaminoethanol (DMAE) or 2-diethylaminoethanol (DEAE), were conducted with total amine mass fractions of 30% and 40% over a temperature range from 298.15 to 353.15 K. Density and viscosity correlations of these mixtures were developed as functions of amine mass fraction, CO2 loading, and temperature. For both systems investigated, the average absolute relative deviations of the experimental data from these correlation are approximately 0.2% for density and 3% for viscosity. The correlations will be useful for thermodynamic analysis and computer simulations of carbon capture processes utilizing these promising blended amine systems.

  • Journal article
    Al Ghafri SZS, Maitland GC, Trusler JPM, 2017,

    Phase Behavior of the System (Carbon Dioxide + n -Heptane + Methylbenzene): A Comparison between Experimental Data and SAFT-γ-Mie Predictions

    , Journal of Chemical and Engineering Data, Vol: 62, Pages: 2826-2836, ISSN: 1520-5134

    In this work, we explore the capabilities of the statistical associating fluid theory for potentials of the Mie form with parameter estimation based on a group-contribution approach, SAFT-γ-Mie, to model the phase behavior of the (carbon dioxide + n-heptane + methylbenzene) system. In SAFT-γ-Mie, complex molecules are represented by fused segments representing the functional groups from which the molecule may be assembled. All interactions between groups, both like and unlike, were determined from experimental data on pure substances and binary mixtures involving CO2. A high-pressure high-temperature variable-volume view cell was used to measure the vapor–liquid phase behavior of ternary mixtures containing carbon dioxide, n-heptane, and methylbenzene over the temperature range 298–423 K at pressures up to 16 MPa. In these experiments, the mole ratio between n-heptane and methylbenzene in the ternary system was fixed at a series of specified values, and the bubble-curve and part of the dew-curve was measured under carbon dioxide addition along four isotherms.

  • Journal article
    Trusler JPM, 2017,

    Thermophysical Properties and Phase Behavior of Fluids for Application in Carbon Capture and Storage Processes

    , ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 8, Vol: 8, Pages: 381-402, ISSN: 1947-5438
  • Conference paper
    Efika EC, Contreras Quintanilla C, Torin Ollarves GA, Tighe CJ, Trusler JPMet al., 2017,

    High-Pressure High-Temperature Phase Equilibria of Crude Oil + CO2

    , Petrophase 2017
  • Conference paper
    Torin Ollarves GA, Efika EC, Trusler JPM, 2016,

    Phase Behaviour of CO2 + Methylcyclohexane + N2

    , 29th European Symposium on Applied Thermodynamics (ESAT 2017).
  • Conference paper
    Contreras Quintanilla C, Efika EC, Torin Ollarves GA, Tighe C, Trusler JPMet al., 2016,

    Experimental and Modelling study of the HPHT Phase Equilibria of crude oil

    , 29th European Symposium on Applied Thermodynamics (ESAT 2017)
  • Journal article
    Mohammed M, Ciotta F, Trusler JPM, 2016,

    Viscosities and densities of binary mixtures of hexadecane with dissolved methane or carbon dioxide at temperatures from (298 to 473) K and at pressures up to 120 MPa

    , Journal of Chemical and Engineering Data, Vol: 62, Pages: 422-439, ISSN: 0021-9568

    We report measurements of the viscosity and density of two binary mixtures comprising hexadecane with dissolved carbon dioxide or methane over the temperature range from (298.15 to 473.15) K and at pressures up to 120 MPa. The measurements were conducted at various mole fractions x of the light component as follows: x = (0, 0.0690, 0.5877, and 0.7270) for xCO2 + (1 – x)C16H34 and x = (0, 0.1013, 0.2021, 0.2976, and 0.3979) for xCH4 + (1 – x)C16H34. The viscosity and density measurements were carried out simultaneously using a bespoke vibrating-wire apparatus with a suspended sinker. With respect to the first mixture, the apparatus was operated in a relative mode and was calibrated in octane whereas, for the second mixture, the apparatus was operated in an absolute mode. To facilitate this mode of operation, the diameter of the centerless-ground tungsten wire was measured with a laser micrometer, and the mass and volume of the sinker were measured independently by hydrostatic weighing. In either mode of operation, the expanded relative uncertainties at 95% confidence were 2% for viscosity and 0.3% for density. The results were correlated using simple relations that express both density and viscosity as functions of temperature and pressure. For both pure hexadecane and each individual mixture, the results have been correlated using the modified Tait equation for density, and the Tait–Andrade equation for viscosity; both correlations described our data almost to within their estimated uncertainties. In an attempt to model the viscosity of the binary mixtures as a function of temperature, density, and composition, we have applied the extended-hard-sphere model using several mixing rules for the characteristic molar core volume. The most favorable mixing rule was found to be one based on a mole-fraction-weighted sum of the pure component molar core volumes raised to a power γ which was treated as an adjustable parameter. In this case, deviations

  • Journal article
    Moultos OA, Tsimpanogiannis IN, Panagiotopoulos AZ, Trusler JPM, Economou IGet al., 2016,

    Atomistic molecular dynamics simulations of carbon dioxide diffusivity in n-hexane, n-decane, n-hexadecane, cyclohexane and squalane

    , The Journal of Physical Chemistry. B, Vol: 120, Pages: 2890-12900, ISSN: 1520-5207

    Atomistic molecular dynamics simulations were carried out to obtain the diffusion coefficients of CO2 in n-hexane, n-decane, n-hexadecane, cyclohexane, and squalane at temperatures up to 423.15 K and pressures up to 65 MPa. Three popular models were used for the representation of hydrocarbons: the united atom TraPPE (TraPPE-UA), the all-atom OPLS, and an optimized version of OPLS, namely, L-OPLS. All models qualitatively reproduce the pressure dependence of the diffusion coefficient of CO2 in hydrocarbons measured recently, and L-OPLS was found to be the most accurate. Specifically for n-alkanes, L-OPLS also reproduced the measured viscosities and densities much more accurately than the original OPLS and TraPPE-UA models, indicating that the optimization of the torsional potential is crucial for the accurate description of transport properties of long chain molecules. The three force fields predict different microscopic properties such as the mean square radius of gyration for the n-alkane molecules and pair correlation functions for the CO2–n-alkane interactions. CO2 diffusion coefficients in all hydrocarbons studied are shown to deviate significantly from the Stokes–Einstein behavior.

  • Conference paper
    Hu R, Trusler JPM, Crawshaw JP, 2016,

    Effect of CO2 Dissolution on the Rheology of a Heavy Oil/Water Emulsion

    , 17th International Conference on Petroleum Phase Behavior and Fouling (PetroPhase), Publisher: American Chemical Society, Pages: 3399-3408, ISSN: 0887-0624

    During the later stages of flow from an oil well, water inevitably appears in the produced fluids. When crude oil and water are energetically mixed by constrictions in the production tubing, emulsions can form. Heavy crudes may also contain surface-active agents that can stabilize the emulsion, resulting in persistent flow problems. If carbon dioxide is injected into such a reservoir (e.g., for CO2 enhanced oil recovery), then CO2 will dissolve into both oil and water phases affecting the emulsion properties; however, this aspect has been neglected in the literature thus far. This paper presents a study of the rheology of oil/water emulsion altered by carbon dioxide. The emulsion was prepared by blending 50 wt % water and 50 wt % Zuata heavy crude oil in a high shear mixer (Silverson), resulting in a water-in-oil emulsion. The emulsion was subsequently stable at ambient conditions for several weeks without the addition of any surfactants. A high-pressure rheometer system coupled to a mixing vessel and fluid circulation loop allowed the emulsion to be brought into equilibrium with CO2, and its rheology was then measured at a temperature of 50 °C and pressures from ambient to 120 bar. The emulsion without dissolved CO2 was found to be slightly shear thinning below a critical shear rate, above which the viscosity jumped to a much lower value. The CO2 dissolution had two effects: first, it reduced the emulsion viscosity at low shear while preserving the shear thinning behavior, and second, increasing the CO2 pressure in equilibrium with the emulsion increased the critical shear rate at which the viscosity jump occurred. At shear rates above the jump, the emulsion viscosity dropped to a level lower than that of the original continuous phase (oil). It is likely that the viscosity jump occurred as a result of phase inversion; however, this was difficult to observe directly. The jump was reversed (with some hysteresis) as the shear rate was reduced again. Dissolved CO2

  • Journal article
    Trusler JPM, Lemmon EW, 2016,

    Determination of the thermodynamic properties of water from the speed of sound

    , JOURNAL OF CHEMICAL THERMODYNAMICS, Vol: 109, Pages: 61-70, ISSN: 0021-9614

    Thermodynamic properties of compressed liquids may be obtained from measurements of the speed of sound by means of thermodynamic integration subject to initial values of density and isobaric specific heat capacity along a single low-pressure isobar. In this paper, we present an analysis of the errors in the derived properties arising from perturbations in both the speed-of-sound surface and the initial values. These errors are described in first order by a pair of partial differential equations that we integrate for the example case of water with various scenarios for the errors in the sound speed and the initial values. The analysis shows that errors in either the speed of sound or the initial values of density that are rapidly oscillating functions of temperature have a disproportionately large influence on the derived properties, especially at low temperatures. In view of this, we have obtained a more accurate empirical representation of the recent experimental speed-of-sound data for water [Lin and Trusler, J. Chem. Phys. 136, (2012) 094511] and use this in a new thermodynamic integration to obtain derived properties including density, isobaric heat capacity and isobaric thermal expansivity at temperatures between (253.15 and 473.15) K at pressures up to 400 MPa. The densities obtained in this way are in very close agreement with those reported by Lin and Trusler, but the isobaric specific heat capacity and the isobaric expansivity both differ significantly in the extremes of low temperatures and high pressures.

  • Journal article
    Cadogan SP, Mistry B, Wong Y, Maitland GC, Trusler JPMet al., 2016,

    Diffusion coefficients of carbon dioxide in eight hydrocarbon liquids at temperatures between (298.15 and 423.15) K at pressures up to 69 MPa

    , Journal of Chemical and Engineering Data, Vol: 61, Pages: 3922-3932, ISSN: 1520-5134

    We report experimental measurements of the mutual diffusion coefficients in binary systems comprising CO2 + liquid hydrocarbon measured at temperatures between (298.15 and 423.15) K and at pressures up to 69 MPa. The hydrocarbons studied were the six normal alkanes hexane, heptane, octane, decane, dodecane and hexadecane, one branched alkane, 2,6,10,15,19,23-hexamethyltetracosane (squalane), and methylbenzene (toluene). The measurements were performed by the Taylor dispersion method at effectively infinite dilution of CO2 in the alkane, and the results have a typical standard relative uncertainty of 2.6%. Pressure was found to have a major impact, reducing the diffusion coefficient at a given temperature by up to 55% over the range of pressures investigated. A correlation based on the Stokes–Einstein model was investigated in which the effective hydrodynamic radius of CO2 was approximated by a linear function of the reduced molar volume of the solvent. This represented the data for the normal alkanes only with an average absolute relative deviation (AAD) of 5%. A new universal correlation, based on the rough-hard-sphere theory, was also developed which was able to correlate all the experimental data as a function of reduced molar volume with an AAD of 2.5%.

  • Journal article
    Hu R, Crawshaw JP, Trusler JPM, Boek ESet al., 2016,

    Rheology and phase behavior of carbon dioxide and crude oil mixtures

    , Energy & Fuels, Vol: 31, Pages: 5776-5784, ISSN: 0887-0624

    The rheology of Zuata heavy crude oil, saturated with carbon dioxide, was studied at a temperature of 50 °C and pressures up to 220 bar. Observations of phase behavior were also reported and used to interpret the rheological data. The crude oil is very viscous and non-Newtonian at ambient pressure, but when brought into equilibrium with CO2, the non-Newtonian behavior was weakened and eventually disappeared at high CO2 pressures. When diluted with 10 and 30 wt % toluene, the diluted crude oils and their mixtures with CO2 behaved as Newtonian fluids. The CO2-saturated mixture of the crude oil samples showed an exponential decrease in viscosity with increasing CO2 pressure but an increase in viscosity at higher pressures. During observation through a view cell, the CO2 dissolution caused a swelling effect on the original crude oil. When saturated with CO2, the swelling effect also occurred on the 10 wt % diluted crude oil but the volume of the oil-rich phase was decreased at higher pressures. However, for the 30 wt % diluted crude oil, a second liquid phase was observed on top of the oil-rich phase, at pressures higher than the CO2 critical point. The mixture viscosity was inversely proportional to the CO2 solubility.

  • Conference paper
    Efika EC, Torin Ollarves GA, Al Ghafri SZS, Trusler JPMet al., 2016,

    Experimental and Modelling Study of the Phase Equilibria of (CO2 + Methylcylohexane + N2) at High Pressures and Temperatures

    , American Institute of Chemical Engineers (AICHe) Annual Meeting
  • Journal article
    Peng C, Anabaraonye BU, Crawshaw JP, Maitland GC, Trusler JPet al., 2016,

    Kinetics of carbonate mineral dissolution in CO2-acidified brines at storage reservoir conditions.

    , Faraday Discussions, Vol: 192, Pages: 545-560, ISSN: 1364-5498

    We report experimental measurements of the dissolution rate of several carbonate minerals in CO2-saturated water or brine at temperatures between 323 K and 373 K and at pressures up to 15 MPa. The dissolution kinetics of pure calcite were studied in CO2-saturated NaCl brines with molalities of up to 5 mol kg(-1). The results of these experiments were found to depend only weakly on the brine molality and to conform reasonably well with a kinetic model involving two parallel first-order reactions: one involving reactions with protons and the other involving reaction with carbonic acid. The dissolution rates of dolomite and magnesite were studied in both aqueous HCl solution and in CO2-saturated water. For these minerals, the dissolution rates could be explained by a simpler kinetic model involving only direct reaction between protons and the mineral surface. Finally, the rates of dissolution of two carbonate-reservoir analogue minerals (Ketton limestone and North-Sea chalk) in CO2-saturated water were found to follow the same kinetics as found for pure calcite. Vertical scanning interferometry was used to study the surface morphology of unreacted and reacted samples. The results of the present study may find application in reactive-flow simulations of CO2-injection into carbonate-mineral saline aquifers.

  • Journal article
    Efika EC, Hoballah R, Li X, May EF, Nania M, Sanchez-Vicente Y, Trusler JPMet al., 2016,

    Saturated phase densities of (CO2 + H2O) at temperatures from (293 to 450) K and pressures up to 64 MPa

    , Journal of Chemical Thermodynamics, Vol: 93, Pages: 347-359, ISSN: 1096-3626

    An apparatus consisting of an equilibrium cell connected to two vibrating tube densimeters and two syringe pumps was used to measure the saturated phase densities of (CO2 + H2O) at temperatures from (293 to 450) K and pressures up to 64 MPa, with estimated average standard uncertainties of 1.5 kg · m−3 for the CO2-rich phase and 1.0 kg · m−3 for the aqueous phase. The densimeters were housed in the same thermostat as the equilibrium cell and were calibrated in situ using pure water, CO2 and helium. Following mixing, samples of each saturated phase were displaced sequentially at constant pressure from the equilibrium cell into the vibrating tube densimeters connected to the top (CO2-rich phase) and bottom (aqueous phase) of the cell. The aqueous phase densities are predicted to within 3 kg · m−3 using empirical models for the phase compositions and partial molar volumes of each component. However, a recently developed multi-parameter equation of state (EOS) for this binary mixture, Gernert and Span [32], was found to under predict the measured aqueous phase density by up to 13 kg · m−3. The density of the CO2-rich phase was always within about 8 kg · m−3 of the density for pure CO2 at the same pressure and temperature; the differences were most positive near the critical density, and became negative at temperatures above about 373 K and pressures below about 10 MPa. For this phase, the multi-parameter EOS of Gernert and Span describes the measured densities to within 5 kg · m−3, whereas the computationally-efficient cubic EOS model of Spycher and Pruess (2010), commonly used in simulations of subsurface CO2 sequestration, deviates from the experimental data by a maximum of about 8 kg · m−3.

  • Journal article
    Chow YTF, Eriksen DK, Galindo A, Haslam AJ, Jackson G, Maitland GC, Trusler JPMet al., 2016,

    Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

    , Fluid Phase Equilibria, Vol: 407, Pages: 159-176, ISSN: 0378-3812

    Experimental interfacial tensions of the systems (H<inf>2</inf>O+CO<inf>2</inf>), (H<inf>2</inf>O+N<inf>2</inf>), (H<inf>2</inf>O+Ar), (H<inf>2</inf>O+CO<inf>2</inf> +N<inf>2</inf>) and (H<inf>2</inf>O+CO<inf>2</inf> +Ar) are compared with calculations based on the statistical associating fluid theory for variable range potentials of the Mie form (SAFT-VR Mie) in combination with the square-gradient theory (SGT). Comparisons are made at temperatures from (298 to 473)K and at pressures up to 60MPa. Experimental data for the systems (H<inf>2</inf>O+CO<inf>2</inf>), (H<inf>2</inf>O+N<inf>2</inf>) and (H<inf>2</inf>O+CO<inf>2</inf> +N<inf>2</inf>) are taken from the literature. For the (H<inf>2</inf>O+Ar) and (H<inf>2</inf>O+CO<inf>2</inf> +Ar) systems, we report new experimental interfacial-tension data at temperatures of (298.15-473.15)K and pressures from (2 to 50)MPa, measured by the pendant-drop method. The expanded uncertainties at 95% confidence are 0.05K for temperature, 70kPa for pressure, 0.016× γ for interfacial tension in the binary (Ar+H<inf>2</inf>O) system and 0.018× γ for interfacial tension in the ternary (CO<inf>2</inf> +Ar+H<inf>2</inf>O) system.The parameters in the SAFT-VR Mie equation of state are estimated entirely from phase-equilibrium data for the pure components and binary mixtures. For pure water, the SGT influence parameter is determined from vapour-liquid surface-tension data, as is common practice. Since the other components are supercritical over most or the entire temperature range under consideration, their pure-component influence parameters are regressed by comparison with the binary interfacial-tension data. A geometric-mean combining rule

  • Journal article
    Schmidt KAG, Pagnutti D, Curran MD, Singh A, Trusler JPM, Maitland GC, McBride-Wright Met al., 2016,

    Correction to "New experimental data and reference models for the viscosity and density of squalane"

    , Journal of Chemical and Engineering Data, Vol: 61, Pages: 698-698, ISSN: 1520-5134

    Empirical models for the density and the viscosity of squalane (C30H62; 2,6,10,15,19,23-hexamethyltetracosane) have been developed based on an exhaustive review of the data available in the literature and new experimental density and viscosity measurements carried out as a part of this work. The literature review shows there is a substantial lack of density and viscosity data at high temperature (373 to 473) K and high pressure conditions (pressures up to 200 MPa). These gaps were addressed with new experimental measurements carried out at temperatures of (338 to 473) K and at pressures of (1 to 202.1) MPa. The new data were utilized in the model development to improve the density and viscosity calculation of squalane at all conditions including high temperatures and high pressures. The model presented in this work reproduces the best squalane density and viscosity data available based on a new combined outlier and regression algorithm. The combination of the empirical models and the regression approach resulted in models which could reproduce the experimental density data with average absolute percent deviation of 0.04 %, bias of 0.000 %, standard deviation of 0.05 %, and maximum absolute percent deviation of 0.14 % and reproduce the experimental viscosity data with average absolute percent deviation of 1.4 %, bias of 0.02 %, standard deviation of 1.8 %, and maximum absolute percent deviation of 4.9 % over a wide range of temperatures and pressures. On the basis of the data set used in the model regression (without outliers), the density model is limited to the pressure and temperature ranges of (0.1 to 202.1) MPa and (273 to 525) K, whereas the viscosity model is limited to the pressure and temperature ranges of (0.1 to 467.0) MPa and (273 to 473) K. These models can be used to calibrate laboratory densitometers and viscometers at relevant high-temperature, high-pressure conditions.

  • Journal article
    Al Ghafri SZS, Forte E, Galindo A, Maitland GC, Trusler JPMet al., 2015,

    Experimental and Modeling Study of the Phase Behavior of (Heptane plus Carbon Dioxide plus Water) Mixtures

    , Journal of Chemical and Engineering Data, Vol: 60, Pages: 3670-3681, ISSN: 1520-5134

    We report experimental measurements ofthree-phase equilibria in the system (heptane + carbon dioxide+ water) obtained with a quasi-static analytical apparatus withcompositional analysis by means of gas chromatography. Theapparatus was calibrated by an absolute area method and thewhole measurement system was validated by means ofcomparison with the published literature data of the system(heptane + carbon dioxide). The compositions of the threephases coexisting in equilibrium were measured along fiveisotherms at temperatures from (323.15 to 413.15) K withpressures ranging from approximately 2 MPa to the uppercritical end point pressure at which the two nonaqueousphases became critical. The experimental results have been compared with the predictions of the statistical associating fluidtheory for potentials of variable range. The unlike binary interaction parameters used here are consistent with a previous study fora ternary mixture of a different n-alkane, while the alkane−water binary interaction parameter is found to be transferable and thealkane−carbon dioxide binary interaction parameter is predicted using a modified Hudson-McCoubrey combining rule.Generally, good agreement between experiment and theory was found

  • Conference paper
    Souza LFS, Al Ghafri SZS, Trusler JPM, 2015,

    Phase behaviour studies of the system (CH4+ CO2) and (CH4 + H2S + CO2) at temperatures between (218.15 and 303.15) K

    , AIChE Annual Meeting 2015, Pages: 1025-1034
  • Journal article
    Trusler JPM, 2015,

    Introduction to the Special Issue on carbon storage

    , Journal of Chemical Thermodynamics, Vol: 93, Pages: 273-273, ISSN: 1096-3626
  • Journal article
    Chow YTF, Maitland GC, Trusler JPM, 2015,

    Interfacial tensions of the (CO2 + N-2 + H2O) system at temperatures of (298 to 448) K and pressures up to 40 MPa

    , Journal of Chemical Thermodynamics, Vol: 93, Pages: 392-403, ISSN: 1096-3626

    Interfacial tension measurements of the (CO2 + N2 + H2O) and (N2 + H2O) systems are reported at pressures of (2 to 40) MPa, and temperatures of (298.15 to 448.15) K. The pendant drop method was used in which it is necessary to know the density difference between the two phases. To permit calculation of this difference, the compositions of the coexisting phases were first computed from a combination of the Peng–Robinson equation of state (applied to the non-aqueous phase) and the NRTL model (applied to the aqueous phase). Densities of the non-aqueous phase were computed from the GERG-2008 equation of state, while those of the aqueous phase were calculated knowing the partial molar volumes of the solutes. The expanded uncertainties at 95% confidence are 0.05 K for temperature, 0.07 MPa for pressure, 0.019γ for interfacial tension in the binary (N2 + H2O) system; and 0.032γ for interfacial tension in the ternary (CO2 + N2 + H2O) system. The interfacial tensions in both systems were found to decrease with both increasing pressure and increasing temperature. An empirical correlation has been developed for the interfacial tension of the (N2 + H2O) system in the full range of conditions investigated, with an average absolute deviation of 0.20 mN · m−1, and this is used to facilitate a comparison with literature values. Estimates of the interfacial tension for the (CO2 + N2 + H2O) ternary system, by means of empirical combining rules based on the coexisting phase compositions and the interfacial tensions of the binary sub-systems, (N2 + H2O) and (CO2 + H2O), were found to be somewhat inadequate at low temperatures, with an average absolute deviation of 1.9 mN · m−1 for all the conditions investigated. To enable this analysis, selected literature data for the interfacial tensions of the (CO2 + H2O) binary system have been re-analysed, allowing for improved estimates of the density difference between the two phases. The revised resu

  • Journal article
    Liu Z, Trusler JPM, Bi Q, 2015,

    Viscosities of Liquid Cyclohexane and Decane at Temperatures between (303 and 598) K and Pressures up to 4 MPa Measured in a Dual-Capillary Viscometer

    , Journal of Chemical and Engineering Data, Vol: 60, Pages: 2363-2370, ISSN: 1520-5134

    The viscosities of cyclohexane and decane arereported at temperatures between (303.15 and 598.15) K and atpressures of (0.1, 1, 2, 3 and 4) MPa. The experiments were carriedout with a dual-capillary viscometer that measures the ratio of theviscosities at temperature T and pressure p to that at a referencetemperature of 298.15 K and the same pressure. Absolute values ofthe viscosity were then obtained with an expanded relativeuncertainties at 95 % confidence of 3.0 % by combining themeasured ratios with literature values of the viscosity at the referencetemperature.

  • Journal article
    Zhang J, Fennell PS, Trusler JPM, 2015,

    Density and Viscosity of Partially Carbonated Aqueous Tertiary Alkanolamine Solutions at Temperatures between (298.15 and 353.15) K

    , Journal of Chemical and Engineering Data, Vol: 60, Pages: 2392-2399, ISSN: 1520-5134

    The density and viscosity of partially carbonatedaqueous solutions of either 2-dimethylaminoethanol or 2-diethylaminoethanolwere measured over a temperature range of (298.15 to353.15) K with alkanolamine mass fractions of 0.15 to 0.45.Correlations were developed to represent the density and viscosityof these solutions as a function of amine concentration, CO2 loading,and temperature. For the density, the correlation represents theexperimental data to within ± 0.2 %, while the viscosity data werecorrelated to within ± 4 %. The data and models reported in thispaper will help facilitate a better understanding of the performance ofthese amines in CO2 capture processes, especially in relation to masstransfer and hydrodynamic calculations.

  • Journal article
    Hu R, Crawshaw JP, Trusler JPM, Boek ESet al., 2015,

    Rheology of Diluted Heavy Crude Oil Saturated with Carbon Dioxide

    , Energy & Fuels, Vol: 29, Pages: 2785-2789, ISSN: 0887-0624
  • Journal article
    May EF, Tay WJ, Nania M, Aleji A, Al-Ghafri S, Trusler JPMet al., 2015,

    Erratum: “Physical apparatus parameters and model for vibrating tube densimeters at pressures to 140 MPa and temperatures to 473 K” [Rev. Sci. Instrum. 85, 095111 (2014)]

    , Review of Scientific Instruments, Vol: 86, ISSN: 1089-7623
  • Journal article
    Schmidt KAG, Pagnutti D, Trusler JPM, 2015,

    Reply to "comment on 'new experimental data and reference models for the viscosity and density of squalane"

    , Journal of Chemical and Engineering Data, Vol: 60, Pages: 1213-1214, ISSN: 0021-9568

    The authors would like to thank Professor Bair for his insightful comments on ultrahigh-pressure viscosities. The viscosity model used by Schmidt et al.1 was a Tait-like2,3 model that has been shown to correlate accurately the viscosity of many fluids in the original investigation’s pressure range (0.1–275.8 MPa (40000 psi)) of interest. The upper pressure is indicative of the high pressures found in the petroleum industry4. However, after discussions with Professor Bair, it became clear a reference model that can accurately model the viscosity of squalane at ultrahigh-pressures is of interest to those working in the area of tribology.

  • Journal article
    Peng C, Crawshaw JP, Maitland GC, Trusler JPMet al., 2015,

    Kinetics of calcite dissolution in CO2-saturated water at temperatures between (323 and 373) K and pressures up to 13.8 MPa

    , Chemical Geology, Vol: 403, Pages: 74-85, ISSN: 1872-6836

    We report measurements of the calcite dissolution rate in CO2-saturated water at pressures ranging from (6.0 to 13.8) MPa and temperatures from (323 to 373) K. The rate of calcite dissolution in HCl(aq) at temperatures from (298 to 353) K was also measured at ambient pressure with pH between 2.0 and 3.3. A specially-designed batch reactor system, implementing a rotating disc technique, was used to obtain the dissolution rate at the solid/liquid interface of a single crystal, free of mass transfer effects. We used vertical scanning interferometry to examine the texture of the calcite surface produced by the experiment and the results suggested that at far-from-equilibrium conditions, the measured calcite dissolution rate was independent of the initial defect density due to the development of a dynamic dissolution pattern which became steady-state shortly after the onset of dissolution. The results of this study indicate that the calcite dissolution rate under surface-reaction-controlled conditions increases with the increase of temperature from (323 to 373) K and CO2 partial pressure from (6.0 to 13.8) MPa. Fitting the conventional first order transition state kinetic model to the observed rate suggested that, although sufficient to describe calcite dissolution in CO2-free HCl(aq), this model clearly underestimate the calcite dissolution rate in the (CO2 + H2O) system over the range of conditions studied. A kinetic model incorporating both pH and the activity of CO2(aq) has been developed to represent the dissolution rates found in this study. We report correlations for the corresponding reaction rate coefficients based on the Arrhenius equation and compare the apparent activation energies with values from the literature. The results of this study should facilitate more rigorous modelling of mineral dissolution in deep saline aquifers used for CO2 storage.

  • Journal article
    Fandiño O, Trusler JPM, Vega-Maza D, 2015,

    Phase behavior of (CO2 + H-2) and (CO2+ N-2) at temperatures between (218.15 and 303.15)K at pressures up to 15 MPa

    , International Journal of Greenhouse Gas Control, Vol: 36, Pages: 78-92, ISSN: 1750-5836

    Vapor–liquid equilibrium data are reported for the binary systems (CO2 + H2) and (CO2 + N2) at temperatures between (218.15 and 303.15) K at pressures ranging from the vapor pressure of CO2 to approximately 15 MPa. These data were measured in a new analytical apparatus which is described in detail. The results are supported by a rigorous assessment of uncertainties and careful validation measurements. The new data help to resolve discrepancies between previous studies, especially for the (CO2 + H2) system. Experimental measurements of the three-phase solid–liquid–vapor locus are also reported for both binary systems.The vapor–liquid equilibrium data are modeled with the Peng–Robinson (PR) equation of state with two binary interaction parameters: one, a linear function of inverse temperature, applied to the unlike term in the PR attractive-energy parameter; and the other, taken to be constant, applied to the unlike term in the PR co-volume parameter. This model is able to fit the experimental data in a satisfactory way except in the critical region. We also report alternative binary parameter sets optimized for improved performance at either temperatures below 243 K or temperatures above 273 K. A simple predictive model for the three-phase locus is also presented and compared with the experimental data.

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