Measurement and Correlation of the Solubilities of Oxygen, Nitrogen

Oct 30, 2017 - New experimental solubility data of nitrogen, oxygen, and carbon dioxide in JP-10 (exotetrahydrodicyclopentadiene) in the temperature r...
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Measurement and Correlation of the Solubilities of Oxygen, Nitrogen, and Carbon Dioxide in JP-10 Xiangyang Liu, Siqi Liu, Lihang Bai, and Maogang He* Key Laboratory of Thermal Fluid Science and Engineering of MOE, School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an 710049, China ABSTRACT: New experimental solubility data of nitrogen, oxygen, and carbon dioxide in JP-10 (exotetrahydrodicyclopentadiene) in the temperature range from 293 to 343 K in the intervals of 10 K and in the pressure range from 0.5 to 7.5 MPa were reported. The relative expanded uncertainty of solubility measurement is estimated to be less than 4% with a level of confidence of 95%. The solubility order of the three gases in JP-10 in the studied temperature and pressure range is carbon dioxide > oxygen > nitrogen. The Henry’s constants and the thermodynamic properties of solvation were calculated from the solubility data. A modified KK equation was used to represent the experimental data with AARD less than 1.9%.

1. INTRODUCTION

2. EXPERIMENTAL SECTION 2.1. Materials. Carbon dioxide, nitrogen, and oxygen used in this work were all purchased from Praxair with the mass fraction purities of 99.999%. The JP-10 was supplied by Liming Research Institute of Chemical Industry with mass fraction purity of 99%. Properties of the JP-10 are given in previous work.16 The information on the chemicals used in this work is listed in Table 1.

Exotetrahydrodicyclopentadiene (JP-10) is a hydrocarbon fuel with high volume calorific value, low freezing point, good thermal stability, and material compatibility.1 It is a candidate fuel for supersonic aircraft and hypersonic missile. A large amount work have been put into investigating the thermophysical properties of JP-10 including density, viscosity, heat capacity, vapor pressure, and speed of sound, etc.1−15 as well as its thermal and chemical stability16−20 which is necessary for its application. The solubility of oxygen in aviation kerosene is useful information for improving the safety of aircraft fuel tank during flight because high oxygen concentration in the vapor phase may result in fire and explosion of fuel tank.21,22 The solubility of oxygen is also required for investigating the deposit formation behavior in fuel system of aircraft.16,23 The solubilities of nitrogen and carbon dioxide in aviation kerosene are also useful because these two inert gases can be used to the fuel tank aiming to reduce the oxygen concentration.21−23 However, to our best knowledge, no experimental data and model for the solubilities of oxygen, nitrogen, and carbon dioxide in JP-10 have been reported until now. In the present work, the solubilities of oxygen, nitrogen, and carbon dioxide in JP-10 were measured in the temperature range from 293 to 343 K and in the pressure range from 0.5 to 7.5 MPa were measured with an isochoric saturation method. There are many models for the solubility of gas in solvent, such as the SRK equation, the NRTL model, and the modified Krichevsky−Kasarnovsky (KK) equation, etc.24−27 The modified KK equation has the advantages of simplicity and high accuracy.27 Therefore, the modified KK equation was used to correlate the determined solubility data. © XXXX American Chemical Society

Table 1. Information of the Chemicals Used in This Work chemical name JP-10a carbon dioxide nitrogen oxygen [HMIM] [Tf2N]b

mass fraction purityc

CAS registry numbers

Liming Research Institute of Chemical Industry Praxair

99%

2825-82-3

99.999%

124-38-9

Praxair Praxair Shanghai Cheng Jie Chemical CO., LTD

99.999% 99.999% 99%

7727-37-9 7782-44-7 382150-50-7

source

a Exotetrahydrodicyclopentadiene. b1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. cAs stated by the supplier.

2.2. Apparatus and Method. The experimental system established on the basis of the isochoric saturation method and procedure for measuring the solubilities of nitrogen, oxygen, and carbon dioxide in JP-10 has been described in previous publications.28,29 As shown in Figure 1, the experimental system consists of an equilibrium cell, a gas reservoir, a data acquisition system, a vacuum pump, a magnetic stirrer, a Received: July 27, 2017 Accepted: October 19, 2017

A

DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX

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were collected by a data acquisition system which consists of a Keithley 2002 digital multimeter and a computer. 2.3. Calculation of Gas Solubility. The solubilities of gases in JP-10 were characterized by the mole fraction x which was defined by the ratio of the mole numbers of the gas dissolved n’g to the sum of the mole numbers of JP-10 (n1) and the gas dissolved. x=

ng′ n1 + ng′

(1)

n1 was calculated by m n1 = M

(2)

where m represents the mass of JP-10 poured into the equilibrium cell and M represents the molar mass of JP-10. n’g can be calculated by

ng′ = Δn − ng

Figure 1. Solubility measurement experimental system.

(3)

where Δn is the difference between the mole numbers of gas in the gas reservoir before and after the gas being transferred into the equilibrium cell, which are named ni and nf.. They can be calculated by

thermostat, temperature sensors, and pressure sensors. The volumes of the equilibrium cell and the gas reservoir were calibrated by weighting the mass differences (Mettler Toledo ME4002 balance, the uncertainty is 0.02g) of them when they are filled with water and empty. The volumes of the equilibrium cell and the gas reservoir, including the volumes of the lines, valves, and pressure transducers, are 21.2 and 39.8 mL, respectively. The temperature of the equilibrium cell was controlled using a water thermostat with the stability of 0.01 K while the temperature of gas reservoir is the room temperature. The gas tightness of the equilibrium cell and gas reservoir is checked by loading 10 MPa nitrogen, with pressure drop less than 1 kPa after 24 h. The experiment was carried out as follows: First, load some JP-10 into a 15 mL sample bottle, pour about 8 g into the equilibrium cell from the sample bottle and connect the equilibrium cell to the experimental system; then, some gas was loaded into the gas reservoir after the whole system was vacuumed; finally, a certain amount of gas was transferred into the vacuumed equilibrium cell from the gas reservoir and the magnetic stirrer was turned on to accelerate the dissolution of the gas in JP-10. Pressure drop of the gas in the equilibrium cell could be observed when the gas dissolved in JP-10. JP-10 was saturated with gas when the pressure in the equilibrium cell was stable within 2 h. The equilibrium pressures at different temperatures were obtained by continuously increasing the temperature of the equilibrium cell. Then the JP-10 in the equilibrium cell was changed and new experiment was started. The mass of JP-10 poured into the equilibrium cell was obtained by determining the weight change of the sample bottle using an Mettler Toledo ME 204 analytical balance with an uncertainty of 0.0002g. The temperatures inside the equilibrium cell and the gas reservoir were measured by two Fluke 5608 PT100 resistance thermometers whose expanded uncertainties are 0.02 K (k = 2, Calibration standard: JJG 160-2007). The overall expanded uncertainty in the temperature measurement of the equilibrium cell is less than 0.03 K (k = 2) taking the stability of thermostat into account. The gas pressures inside the equilibrium cell and the gas reservoir were measured by two Keller 33X pressure sensors whose expanded uncertainties and full scales are 1 kPa (k = 2, Calibration standard: JJG 860-2015) and 10 MPa, respectively. The data

ni =

nf =

ρi VG Mg

(4)

ρf VG Mg

(5)

where ρi and ρf are the densities of gas in the gas reservoir before and after transferring gas into the equilibrium cell, respectively. VG is the volume of the gas reservoir and Mg is the molar mass of the gas. ng is the mole number of the gas in the equilibrium cell when JP-10 is saturated with dissolved gas, which was calculated by ng =

ρg Vg Mg

(6)

where ρg is the density of gas in the equilibrium cell, ρi, ρf, and ρg were obtained from the REFPROP 9.1 software;30 Vg is the volume of gas in the equilibrium cell, which can be calculated by Vg = VE − Vl

(7)

where VE represents the volume of the equilibrium cell; Vl is the volume of JP-10 inside the equilibrium cell, which is the ratio of the mass of JP-10 to the density of JP-10. The densities of JP-10 in diffierent temperatures have been determined in literature and represented by Tait equation12 ρ=

ρref (T , pref ) ⎛ p + D1 + D2Tr + D3Tr2 ⎞ ⎟ 1 − C ln⎜ ⎝ pref + D1 + D2Tr + D3Tr2 ⎠

(8)

where C, D1, D2, and D3 parameters. The volume change of JP10 caused by the dissolution of gas was neglected because no significant volume change was observed with the visual window of the equilibrium cell and a microscope. Thus, the eq 1 can be rewritten as B

DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX

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experimental results are shown in Table 3 and compared with the experimental data in literatures32−34 in Figure 2. Our experimental data agree very well with those in literatures.

VG(ρi − ρf ) − ρg (VE − V1) Mgn1 + VG(ρi − ρf ) − ρg (VE − V1)

(9)

2.4. Calibration and Experimental Uncertainty. The expanded uncertainties of temperature and pressure can be estimated by the following equation31 U = ku = k

∑ ui 2

Table 3. Mole Fraction x of Carbon Dioxide in [HMIM][Tf2N]a at Temperature T and Pressure P

(10)

where u is the combined standard uncertainty; k is the coverage factor which is taken to be 2; ui is the uncertainty of each influencing factor. The uncertainty of temperature is mainly from the uncertainties of the thermometer, the thermostat and the data collection system. The uncertainty of pressure is mainly from the pressure sensor and the data collection system. The expanded uncertainty of mole fraction U(x) was obtained from31

T/K

P/kPa

x

U(x)

323.4 324.6 323.2 324.0 323.4

588 1231 2272 2940 5126

0.1136 0.2193 0.3476 0.4265 0.5503

0.0017 0.0023 0.0033 0.0040 0.0045

a

Expanded uncertainties U are U(T) = 0.03 K, U(P) = 1 kPa. The level of confidence is 0.95 (k = 2).

⎡ 2 ⎛ ∂x ⎞2 ⎛ ∂x ⎞2 ⎢⎛ ∂x ⎞ ⎟⎟ u(ρf )2 U (x) = ku(x) = k ⎢⎜ ⎟ u(VG)2 + ⎜⎜ ⎟⎟ u(ρi )2 + ⎜⎜ ⎝ ∂ρi ⎠ ⎝ ∂ρf ⎠ ⎢⎣⎝ ∂VG ⎠ ⎛ ⎞2 ⎛ ∂x ⎞2 ⎛ ∂x ⎞2 ∂x + ⎜⎜ ⎟⎟ u(ρg )2 + ⎜ ⎟ u(VE)2 + ⎜ ⎟ u(V1)2 ⎝ ∂Vl ⎠ ⎝ ∂VE ⎠ ⎝ ∂ρg ⎠ 1/2 2 ⎤ ⎛ ∂x ⎞ + ⎜ ⎟ u(nl)2 ⎥ ⎥⎦ ⎝ ∂nl ⎠

(11)

where u(x) is the uncertainty of mole fraction; u(VG), u(ρi), u(ρf), u(ρg), u(VE), u(V1), and u(n1) are the uncertainties of VG, ρi, ρf, ρg, VE, V1, and n1, respectively. All the expanded uncertainties of the measurement variables (Type B) are summarized in Table 2. The uncertainty of gas density is from Figure 2. Mole fractions of carbon dioxide in [HMIM][Tf2N] at 323 K.

Table 2. Expanded Uncertainties of the Measurement Variablesa

a

variable

uncertainty

temperature pressure volume of gas reservoir volume of equilibrium cell mole number of JP-10 volume of JP-10 density for CO2 density for O2 density for N2

0.03 K 1.0 kPa 0.02 mL 0.02 mL 2 × 10−6 mol 1.2 × 10−3 ml 0.1% 0.06% 0.04%

3. CORRELATION Krichevsky-Kasarnovsky equation35 has been widely applied to calculate the solubilities of gases in liquid solvents.36,37 KK equation is in the form of ln

(13)

V∞ 1

where is the partial mole volume of the solute in the solvent, R is the gas constant, pS2 is the saturated vapor pressure of the solvents; H is Henry’s constant, f is the fugacity of the solute in the vapor phase. pS2 of JP-10 can be ignored because its vapor pressures in the experimental temperature range is very low. Henry’s constant is given by

The level of confidence is 0.95 (k = 2).

the accuracies of the REFPROP software,30 the temperature, and the pressure. The relative expanded uncertainty of mole fraction Ur(x) was estimated to be less than 4% (k = 2), which is defined by Ur(x) = U (x)/x

V1∞(p − p2S ) f = ln H + RT x

H = lim

x→0

(12)

f x

(14)

Fugacity can be calculated with REFPROP 9.1 software.30 The Henry’s law constant can be represented as a function of temperature as follows

The accuracy of our apparatus have been verified by measuring the solubilities of CO2 in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([HMIM][Tf2N]) at pressures from 0.5 to 5 MPa and at 323 K. [HMIM][Tf2N] is purchased from Shanghai Cheng Jie Chemical CO., LTD with a mass fraction purity of 99.0%. The ionic liquid was dried and degassed at 393 K for 48 h under vacuum before used. The information on [HMIM][Tf2N] is listed in Table 1. The

b T V∞ can be correlated by a function of temperature:38 1 ln H = a +

V1∞ = c + dT + eT 2 C

(15)

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Table 4. Mole Fraction x of Oxygen, Carbon Dioxide, and Nitrogen in JP-10 at Temperature T and Pressure Pa T/K

p/kPa

x

U(x)

T/K

p/kPa

x

U(x)

323.19 323.07 333.17 333.15 333.18 333.22 343.19 343.19 343.18 343.16

4557 7018 2193 3442 4710 7268 2262 3551 4863 7516

0.0476 0.0742 0.0241 0.0382 0.0501 0.0777 0.0251 0.0403 0.0524 0.0806

0.00126 0.00179 0.00073 0.00088 0.00125 0.00177 0.00073 0.00087 0.00124 0.00176

3719 4481 1911 2698 3197 3850 4641 1968 2788 3315 3987 4794

0.0257 0.0309 0.0132 0.0186 0.0219 0.0268 0.0327 0.0141 0.0199 0.0240 0.0280 0.0341

0.00079 0.00092 0.00043 0.00056 0.00063 0.00079 0.00092 0.00043 0.00056 0.00063 0.00078 0.00092

2411 3304 4219 664 1035 1913 2544 3485 4474 693 1077 2014 2667 3667 4745

0.1391 0.1916 0.2448 0.0350 0.0543 0.1007 0.1339 0.1850 0.2350 0.0340 0.0530 0.0969 0.1302 0.1784 0.2261

0.00113 0.00129 0.00136 0.00051 0.00070 0.00084 0.00114 0.00132 0.00139 0.00051 0.00070 0.00085 0.00115 0.00134 0.00143

oxygen

a

303.08 303.11 303.10 302.99 313.10 313.12 313.18 313.04 323.14 323.15

1992 3115 4243 6527 2059 3223 4397 6770 2126 3333

0.0193 0.0323 0.0448 0.0650 0.0210 0.0346 0.0473 0.0704 0.0225 0.0365

293.83 292.70 293.87 293.19 303.66 303.93 303.63 303.87 303.03 312.42 312.86 314.03

1730 2432 2896 4159 1790 2531 3000 3609 4314 1844 2611 3110

0.0109 0.0154 0.0187 0.0280 0.0116 0.0166 0.0198 0.0242 0.0294 0.0123 0.0175 0.0211

293.91 293.46 292.37 293.35 293.29 293.27 303.68 302.20 303.66 302.47 303.61 303.83 312.24 312.69 313.86

577 891 1623 2142 2878 3629 607 933 1735 2266 3101 3942 632 984 1831

0.0396 0.0617 0.1160 0.1533 0.2152 0.2760 0.0378 0.0592 0.1091 0.1462 0.2010 0.2580 0.0365 0.0564 0.1045

0.00074 0.00089 0.00127 0.00183 0.00073 0.00088 0.00126 0.00180 0.00073 0.00088

nitrogen 0.00043 312.45 0.00056 313.54 0.00063 323.20 0.00080 322.72 0.00093 322.16 0.00043 322.46 0.00056 323.70 0.00063 332.62 0.00079 333.04 0.00092 333.59 0.00043 332.97 0.00063 333.37 carbon dioxide 0.00049 313.32 0.00069 313.78 0.00081 313.48 0.00109 322.86 0.00122 323.72 0.00124 322.38 0.00050 323.70 0.00069 323.21 0.00083 322.63 0.00111 333.08 0.00126 333.29 0.00131 333.31 0.00050 333.58 0.00070 332.54 0.00084 332.54

Expanded uncertainties U are U(T) = 0.03 K, U(P) = 1 kPa. The level of confidence is 0.95 (k = 2).

the effect of temperature on the solubility of carbon dioxide in JP-10 is much greater than those for oxygen and nitrogen which can be explained by the enthalpy of solvation, which will be discussed later. The mole fractions of oxygen, carbon dioxide, and nitrogen in JP-10 all increase as the pressure increases at fixed temperature. Figure 6 compares the mole fractions of oxygen, carbon dioxide and nitrogen in JP-10 at different pressures when the temperature is 313 K. It can be found that the solubility order of the gases in JP-10 at the same temperature and pressure is carbon dioxide > oxygen > nitrogen. And the solubility of carbon dioxide in JP-10 increases faster than those of oxygen and nitrogen as pressure rises, which indicates that the solubility of carbon dioxide in JP-10 is more sensitive to pressure. The Henry’s constants of oxygen, carbon dioxide and nitrogen in JP-10 are shown in Table 5 and Figure 7. A low value of Henry’s constant indicates high gas solubility. The Henry’s constant order of oxygen, carbon dioxide, and nitrogen

Thus, the KK equation can be rewritten as ln

p(c + dT + eT 2) f b =a+ + x T RT

(17)

where a, b, c, d, and e are adjustable coefficients. We name eq 17 the modified KK equation.

4. RESULTS AND DISCUSSION The solubility data of oxygen, carbon dioxide and nitrogen in JP-10 at temperatures from 293 to 343 K and at pressures from 0.5 to 7.5 MPa were measured and listed in Table 4 together with the expanded uncertainty of mole fraction for each experimental point. Figures 3, 4, and5 show p-x data of oxygen, carbon dioxide and nitrogen in JP-10 at different temperatures, respectively. From Figures 3−5, it can be obviously observed that the mole fractions of carbon dioxide in JP-10 decrease as the temperature increases while the mole fractions of oxygen and nitrogen increase as the temperature increases. In addition, D

DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX

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Figure 6. Mole fractions of oxygen, carbon dioxide and nitrogen in JP10 at 313 K.

Figure 3. Mole fractions of oxygen in JP-10. The line is the calculated values from the modified KK equation.

Table 5. Henry’s Constants H of Oxygen, Carbon Dioxide, and Nitrogen in JP-10 at Temperature T oxygen

carbon dioxide

nitrogen

T/K

H/kPa

T/K

H/kPa

T/K

H/kPa

303.07 313.11 323.14 333.18 343.18

100465 95932 92907 89279 87354

293.28 303.24 313.29 323.08 333.06

14643 16006 17416 18997 20306

293.40 303.62 313.06 322.85 333.12

166189 159385 153730 147684 138008

Figure 4. Mole fractions of carbon dioxide in JP-10. The line is the calculated values from the modified KK equation.

Figure 7. Henry’s constants of oxygen, carbon dioxide and nitrogen in JP-10.

in JP-10 is observed to be nitrogen > oxygen > carbon dioxide, which is contrary to the mole fraction order. It is easily found that Henry’s law constants of oxygen and nitrogen in JP-10 decrease as temperature increases while those of carbon dioxide in JP-10 has the opposite trend. Thermodynamic properties of solvation can provide useful information for understanding the solvation process of gas in solvent. The enthalpy and entropy of solvation are related to solute−solvent interactions and the structural ordering of the solvent around the solute, respectively. The Gibbs energy (ΔsolG∞), the enthalpy (ΔsolH∞), and the entropy (ΔsolS∞) of solvation were calculated using the following equations.39,40

Figure 5. Mole fractions of nitrogen in JP-10. The line is the calculated values from the modified KK equation.

E

DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX

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Table 6. Gibbs Energies of Solvation for Oxygen, Carbon Dioxide, and Nitrogen in JP-10 oxygen

carbon dioxide

nitrogen

T/K

ΔsolG∞/J·mol−1

T/K

ΔsolG∞/J·mol−1

T/K

ΔsolG∞/J·mol−1

303.07 313.11 323.14 333.18 343.18

17417 17874 18360 18821 19323

293.28 303.24 313.29 323.08 333.06

12159 12796 13438 14094 14713

293.40 303.62 313.06 322.85 333.12

18089 18614 19099 19588 20024

Δsol G∞ = RT ln(H /p0 ) Δsol H ∞ = ∞

(18)

⎡ ∂ln(H /p0 ) ⎤ ∂(Δsol G∞/T ) ⎥ = R⎢ ∂(1/T ) ⎣ ∂(1/T ) ⎦ ∞

AARD =

N xcal − xexp 1 ∑ N i xexp

(19)

MRD = max



Δsol S = (Δsol H − Δsol G )/T ⎡ ∂ln(H /p0 ) ⎤ ⎥ − R ln(H /p0 ) = − RT ⎢ T ∂ ⎦ ⎣

(21)

xcal − xexp xexp

(22)

where xexp and xcal are the mole fractions of gas in JP-10 obtained from experimental measure and calculated by the modified KK equation, respectively. N is the number of experimental points. The AARDs for the solubilities of oxygen, carbon dioxide and nitrogen in JP-10 are less than 1.9% and the MRDs are less than 4.3%. The calculated results of the modified KK equation for the solubilities of oxygen, nitrogen, and carbon dioxide in JP-10 are also shown in Figures 3−5 while the deviations between the experimental results and calculated values from the modified KK equation for the solubilities of oxygen, carbon dioxide, and nitrogen in JP-10 were shown in Figure 8. From them, a good agreement between the experimental data and the predictions is observed.

(20)

0

where p is the standard-state pressure, which was taken to be 0.1 MPa. ΔsolG∞of nitrogen, oxygen and carbon dioxide in JP10 are listed in Table 6, which all increase with the increasing temperature.ΔsolH∞ of oxygen, carbon dioxide and nitrogen in JP-10 are 3040 J·mol−1, −6747 J·mol−1, and 3675 J·mol−1, respectively. The negative ΔsolH∞ indicates that the solvation process is exothermic while the positive ΔsolH∞ indicates that the solvation process is endothermic. That is why temperature has the opposite effect on the solubility of carbon dioxide and those of oxygen and nitrogen in JP-10. The larger value of ΔsolH∞ for carbon dioxide can explain the greater effect of temperature on the solubility of carbon dioxide than those on the solubilities of oxygen and nitrogen. ΔsolS∞of oxygen, carbon dioxide and nitrogen in JP-10 are −47.4 J·mol−1·K−1, −64.5 J· mol−1·K−1, and −49.2 J·mol−1·K−1, respectively. The much larger value of ΔsolS∞for carbon dioxide than those for oxygen and nitrogen in JP-10 indicates that there is stronger molecular interaction between carbon dioxide and JP-10 which results in higher solubility. The coefficients of the modified KK equation for oxygen, carbon dioxide and nitrogen in JP-10 were obtained by fitting to the experimental solubility data and are listed in Table 7. Table 7. Coefficients and Deviations of the Modified KK Equation for the Solubilities of Oxygen, Carbon Dioxide, and Nitrogen in JP-10 a b c d e AARD/% MRD/%

oxygen

carbon dioxide

nitrogen

10.36 348.1 0.6581 −0.005176 9.681 × 10−06 1.9 4.3

12.19 −756.3 −6.259 0.03565 −5.137 × 10−05 0.5 1.1

10.42 476.1 −2.267 0.01207 −1.574 × 10−05 0.4 1.4

Figure 8. Deviations of the modified KK equation from the experimental solubility data of oxygen, carbon dioxide and nitrogen in JP-10.

5. CONCLUSION The solubilities of nitrogen, oxygen and carbon dioxide in JP-10 were measured at temperatures from 293 to 343 K and pressures from 0.5 to 7.5 MPa. The solubility of carbon dioxide is obviously higher than those of oxygen and nitrogen. The mole fractions of oxygen, carbon dioxide and nitrogen in JP-10 all increase as the pressure increases and the increase rate of the mole fraction of carbon dioxide is higher. The mole fractions of carbon dioxide decrease as the temperature increases while

Table 7 also shows the mean absolute relative deviations (AARD) and the maximum relative absolute deviations (MRD) between the experimental data and the calculated results of the modified KK equation for the solubilities of oxygen, nitrogen and carbon dioxide in JP-10. The AARD and the MRD are defined by F

DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX

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those of oxygen and nitrogen show the opposite tendency. The calculated thermodynamic properties of solvation show that the solvation process of carbon dioxide in JP-10 is exothermic while those of oxygen and nitrogen are endothermic. The experimental data in this work were correlated well with a modified KK equation.



AUTHOR INFORMATION

Corresponding Author

*Tel:+86-29-8266-3863; Fax:+86-29-8266-3863; Email:[email protected]. ORCID

Maogang He: 0000-0002-2364-2140 Notes

The authors declare no competing financial interest.



ACKNOWLEDGMENTS The supports for the present work provided by the National Science Fund for Distinguished Young Scholars of China (No. 51525604), the Science and Technology Research Project of Shaanxi Province, China (No. 2016GY-145), and 111 Project (No. B16038) are gratefully acknowledged.



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DOI: 10.1021/acs.jced.7b00692 J. Chem. Eng. Data XXXX, XXX, XXX−XXX