Research on status and developing trends of hydrodynamics in ionic-liquid system

doi:10.16085/j.issn.1000-6613.2017-1597

Abstract

Abstract: As a novel type of green solvents,ionic liquids(ILs) gradually attracted wide attention in industry due to their wide electrochemical property,high thermal stability,low vapor pressure,devisable structures and good cycle performance. For industrial scale-up,it is significant to know the hydrodynamics in ILs,such as the bubble behavior,mixed behavior and so on. The gas-liquid two-phase flow,liquid-liquid two-phase flow and three-phase flow are discussed in the aspects of experiment and numerical simulation,respectively. The results show that the hydrodynamics of ILs system is still in the developing stage. The study of three-phase flow of ILs is temporarily suspended in the experimental stage,and the research of liquid-solid two-phase flow is almost blank and needs to be investigated. In the future,more advanced detection methods will be used in the experimental research of hydrodynamics in ILs while numerical simulation will get deep insight into the analysis of the flow behavior in different systems from microscopic to macroscopic based on the special properties of ILs.

Key words: ionic liquid(ILs), multiphase flow, computational fluid dynamics(CFD), microchannels, hydrodynamics, bubble behavior

摘要： 离子液体作为一种新兴的绿色溶剂，由于其较高的热稳定性、宽电化学窗口、极低的饱和蒸气压、良好的可设计性及循环性能，逐渐受到广泛关注，在工业分离、催化反应及电化学等方面具有十分广阔的工业应用前景。而要实现这些技术的工业化，就必须深入认识离子液体体系的流体动力学性质，如气泡行为、混合行为等。本文针对离子液体体系中气-液两相流、液-液两相流以及三相流流动行为，分别从实验研究和数值模拟两个角度对研究现状进行了系统分析和评述，并认为离子液体体系流体动力学研究尚处于逐步深入的阶段，其中离子液体体系三相流流体动力学研究仅有实验成果，液-固两相流研究几近空白，亟需填补。离子液体体系流体动力学研究未来的实验研究中将使用更多先进的检测手段，而数值模拟将结合离子液体的特殊性质，从微观到宏观深度剖析不同体系下的流动行为。

关键词: 离子液体, 多相流, 计算流体动力学, 微通道, 流体动力学, 气泡行为

CLC Number:

TQ021.1

TANG Qi, BAI Lu, DONG Haifeng, WANG Kuisheng, ZHANG Xiangping. Research on status and developing trends of hydrodynamics in ionic-liquid system[J]. Chemical Industry and Engineering Progress, 2018, 37(04): 1323-1334.

汤祺, 白璐, 董海峰, 王奎升, 张香平. 离子液体体系流体动力学研究现状及发展趋势[J]. 化工进展, 2018, 37(04): 1323-1334.

References

[1] ZHANG X,ZHANG X,DONG H,et al.Carbon capture with ionic liquids:overview and progress[J].Energy & Environmental Science,2012,5:6668-6681.
[2] BLANCHARD L A,HANCU D,BECKMAN E J,et al.Green processing using ionic liquids and CO₂[J].Nature,1999,399:28-29.
[3] KAZARIAN S G,BRISCOE B J,WELTON T.Combining ionic liquids and supercritical fluids:in situ AIR-IR study of CO₂ dissolved in two ionic liquids at high pressures[J].Chemical Communications,2000(20):2047-2048.
[4] CROWHURST L,MAWDSLEY P R,PEREZ-ARLANDIS J M,et al.Solvent-solute interactions in ionic liquids[J]. Physical Chemistry Chemical Physics,2003,5:2790-2794.
[5] ANDERSON J L,DIXON J K,BRENNECKE J F.Solubility of CO₂,CH₄,C₂H₆,C₂H₄,O₂,and N₂ in 1-hexyl-3-methylpyridiniumbis(trifluoromethylsulfonyl)imide:comparison to other ionic liquids[J].Accounts of Chemical Research,2007,40:1208-1216.
[6] MULDOON M J,AKI S N V K,ANDERSON J L,et al.Improving carbon dioxide solubility in ionic liquids[J].Journal of Physical Chemistry B,2007,111:9001-9009.
[7] GURKAN B E,DE LA FUENTE J C,MINDRUP E M,et al. Equimolar CO₂ absorption by anion-functionalized ionic liquids[J].Journal of The American Chemical Society,2010,132:2116-2117.
[8] GAO H S,GUO C,XING J M,et al.Deep desulfurization of diesel oil with extraction using pyridinium-based ionic liquids[J].Separation Science and Technology,2012,47:325-330.
[9] YUNUS N M,MUTALIB M I A,MAN Z,et al.Solubility of CO₂ in pyridinium based ionic liquids[J].Chemical Engineering Journal,2012,189-190:94-100.
[10] ZENG S,HE H,GAO H,et al.Improving SO₂ capture by tuning functional groups on the cation of pyridinium-based ionic liquids[J].RSC Advances,2015,5:2470-2478.
[11] ZENG S,WANG J,BAI L,et al.Highly selective capture of CO₂ by ether-functionalized pyridinium ionic liquids with low viscosity[J].Energy & Fuels,2015,29:6039-6048.
[12] ZENG S,ZHANG X,GAO H,et al.SO₂-induced variations in the viscosity of ionic liquids investigated by in situ Fourier transform infrared spectroscopy and simulation calculations[J].Industrial &Engineering Chemistry Research,2015,54:10854-10862.
[13] LIU Z,HUANG S,WANG W.A refined force field for molecular simulation of imidazolium-based ionic liquids[J].Journal of Physical Chemistry B,2004,108:12978-12989.
[14] LOPES J N C,PADUA A H.Molecular force field for ionic liquids Ⅲ:imidazolium,pyridinium,and phosphonium cations;chloride,bromide,and dicyanamide anions[J].Journal of Physical Chemistry B,2006,110:19586-19592.
[15] CHAUMONT A,WIPFF G.Solvation of In (Ⅲ) lanthanide cations in the[BMI] [SCN],[MeBu₃N] [SCN],and[BMI]₅[ln(NCS)₈] ionic liquids:a molecular dynamics study[J].Inorganic Chemistry,2009,48:4277-4289.
[16] ZHANG X,LIU X,YAO X,et al.Microscopic structure,interaction,and properties of a guanidinium-based ionic liquid and its mixture with CO₂[J]. Industrial& Engineering Chemistry Research,2011,50:8323-8332.
[17] HUANG Y,ZHANG X P,ZHANG X,et al.Thermodynamic modeling and assessment of ionic liquid-based CO₂ capture processes[J].Industrial & Engineering Chemistry Research,2014,53:11805-11817.
[18] HUANG Y,ZHAO Y,ZENG S,et al.Density prediction of mixtures of ionic liquids and molecular solvents using two new generalized models[J].Industrial & Engineering Chemistry Research,2014,53:15270-15277.
[19] ZHAO Y S,PASO K,ZHANG X P,et al.Utilizing ionic liquids as additives for oil property modulation[J].RSC Advances,2014,4:6463-6470.
[20] ZHAO Y S,ZHAO J H,HUANG Y,et al.Toxicity of ionic liquids:database and prediction via quantitative structure-activity relationship method[J].Journal of Hazardous Materials,2014,278:320-329.
[21] HUANG Y,ZHANG X,ZHAO Y,et al.New models for predicting thermophysical properties of ionic liquid mixtures[J].Physical Chemistry Chemical Physics,2015,17:26918-26929.
[22] ZHAO Y,HUANG Y,ZHANG X,et al.A quantitative prediction of the viscosity of ionic liquids using s sigma-profile molecular descriptors[J].Physical Chemistry Chemical Physics,2015,17:3761-3767.
[23] ZHAO Y,HUANG Y,ZHANG X,et al.Prediction of heat capacity of ionic liquids based on COSMO-RS sσ-profile[J].Computer Aided Chemical Engineering.2015,37:251-256.
[24] ZHAO Y,ZENG S,HUANG Y,et al.Estimation of heat capacity of ionic liquids using sσ-profile molecular descriptors[J]. Industrial & Engineering Chemistry Research,2015,54:12987-12992.
[25] DONG H,WANG X,LIU L,et al.The rise and deformation of a single bubble in ionic liquids[J].Chemical Engineering Science,2010,65:3240-3248.
[26] CALDERBANK P,MOO-YOUNG M.The continuous phase heat and mass-transfer properties of dispersions[J].Chemical Engineering Science,1961,16:39-54.
[27] LAAKKONEN M,HONKANEN M,SAARENRINNE P,et al.Local bubble size distributions,gas-liquid interfacial areas and gas holdups in a stirred vessel with particle image velocimetry[J].Chemical Engineering Journal,2005,109:37-47.
[28] LAAKKONEN M,MOILANEN P,AITTAMAA J.Local bubble size distributions in agitated vessels[J].Chemical Engineering Journal,2005,106:133-143.
[29] KHOPKAR A R,KASAT G R,PANDIT A B,et al.CFD simulation of mixing in tall gas-liquid stirred vessel:role of local flow patterns[J].Chemical Engineering Science,2006,61:2921-2929.
[30] LAAKKONEN M,MOILANEN P,ALOPAEUS V,et al.Modelling local bubble size distributions in agitated vessels[J].Chemical Engineering Science,2007,62:721-740.
[31] MURTHY B N,GHADGE R S,JOSHI J B.CFD simulations of gas-liquid-solid stirred reactor:prediction of critical impeller speed for solid suspension[J].Chemical Engineering Science,2007,62:7184-7195.
[32] KHOPKAR A R,TANGUY P A.CFD simulation of gas-liquid flows in stirred vessel equipped with dual rushton turbines:influence of parallel,merging and diverging flow configurations[J].Chemical Engineering Science,2008,63:3810-3820.
[33] JAHODA M,TOMASKOVA L,MOWTEK M.CFD prediction of liquid homogenisation in a gas-liquid stirred tank[J].Chemical Engineering Research and Design,2009,87:460-467.
[34] ZWIETERING T N.Suspending of solid particles in liquid by agitators[J].Chemical Engineering Science,1958,8:244-253.
[35] BOHNET M,NIESMAK G.Distribution of solids in stirred suspensions[J].Chemie Ingenieur Technik,1979,51:314-315.
[36] TAKAHASHI K,FUJITA H,YOKOTA T.Effect of size of spherical particle on complete suspension speed in agitated vessels of different scale[J].Journal of Chemical Engineering of Japan,1993,26:98-100.
[37] IBRAHIM S,NIENOW A.Particle suspension in the turbulent regime:the effect of impeller type and impeller/vessel configuration[J]. Chemical Engineering Research & Design,1996,74:679-688.
[38] DOHI N,TAKAHASHI T,MINEKAWA K,et al.Power consumption and solid suspension performance of large-scale impellers in gas-liquid-solid three-phase stirred tank reactors[J]. Chemical Engineering Journal,2004,97:103-114.
[39] OCHIENG A,LEWIS A E.Nickel solids concentration distribution in a stirred tank[J].Minerals Engineering,2006,19:180-189.
[40] OCHIENG A,LEWIS A E.CFD simulation of solids off-bottom suspension and cloud height[J].Hydrometallurgy,2006,82:1-12.
[41] BEETSTRA R,VAN DER HOEF M A,KUIPERS J A M.Drag force of intermediate Reynolds number flow past mono-and bidisperse arrays of spheres[J].AIChE Journal,2007,53:489-501.
[42] TAMBURINI A,CIPOLLINA A,MICALE G,et al.Dense solid-liquid off-Bottom suspension dynamics:simulation and experiment[J].Chemical Engineering Research and Design,2009,87:587-597.
[43] TAMBURINI A,CIPOLLINA A,MICALE G,et al.CFD simulations of dense solid-liquid suspensions in baffled stirred tanks:prediction of suspension curves[J].Chemical Engineering Journal,2011,178:324-341.
[44] CHAPMAN C,NIENOW A,COOKE M,MIDDLETON J. Particle-gas-liquid mixing in stirred vessels.PART Ⅱ:gas-liquid mixing[J]. Chemical Engineering Research and Design,1983,61:82-95.
[45] CHAPMAN C M,NIENOW A,COOKE M,et al.Particle-gas-liquid mixing in stirred vessels.Ⅰ:Particle-liquid mixing[J].Chemical Engineering Research and Design,1983,61:71-81.
[46] WARMOESKERKEN M,VAN HOUWELINGEN M,FRIJLINK J,et al.Role of cavity formation in stirred gas-liquid-solid reactors[J]. Chemical Engineering Research and Design,1984,62:197-200.
[47] WONG C,WANG J,HUANG S.Investigations of fluid dynamics in mechanically stirred aerated slurry reactors[J].The Canadian Journal of Chemical Engineering,1987,65:412-419.
[48] REWATKAR V B,JOSHI J B.Critical impeller speed for solid suspension in mechanically agitated three-phase reactors. 2. Mathematical model[J]. Industrial & Engineering Chemistry Research,1991,30:1784-1791.
[49] REWATKAR V B,RAO K R,JOSHI J B.Critical impeller speed for solid suspension in mechanically agitated three-phase reactors. 1. Experimental part[J].Industrial & Engineering Chemistry Research,1991,30:1770-1784.
[50] DYLAG M,TALAGA J.Hydrodynamics of mechanical mixing in a three-phase liquid-gas-solid system,Inzynieria Chemiczna i Procesowa 12,No.1(1991),Poland[J].International Chemical Engineering,1994,34:539-551.
[51] TOMIYAMA A. Struggle with computational bubble dynamics[J]. Multiphase Science and Technology,1998,10:369-405.
[52] KELBALIYEV G,CEYLAN K.Development of new empirical equations for estimation of drag coefficient,shape deformation,and rising velocity of gas bubbles or liquid drops[J].Chemical Engineering Communications,2007,194:1623-1637.
[53] RODRIGUE D.Drag coefficient-Reynolds number transition for gas bubbles rising steadily in viscous fluids[J].Canadian Journal of Chemical Engineering,2001,79(1):119-123.
[54] TURTON R,LEVENSPIEL O.A short note on the drag correlation for spheres[J].Powder Technology,1986,47:83-86.
[55] MEI R,KLAUSNER J.Unsteady force on a spherical bubble at finite Reynolds number with small fluctuations in the free-stream velocity[J].Physics of Fluids A:Fluid Dynamics,1992,4:63.
[56] TOMIYAMA A.Drag,lift and virtual mass forces acting on a single bubble[C]//Proceedings of the 3rd International Symposium on Two-Phase Flow Modelling and Experimentation,Pisa,F September,2004.
[57] ZHANG X,BAO D,HUANG Y,et al.Gas-liquid mass-transfer properties in CO₂ absorption system with ionic liquids[J].AIChE Journal,2014,60:2929-2939.
[58] OKUNO M,HAMAGUCHI H-O,HAYASHI S.Magnetic manipulation of materials in a magnetic ionic liquid[J].Applied Physics Letters,2006,89:132506.
[59] DA SILVA N M P,LETOURNEAU J-J,ESPITALIER F,et al.Transparent and inexpensive microfluidic device for two-phase flow systems with high-pressure performance[J]. Chemical Engineering & Technology,2014,37:1929-1937.
[60] 谭璟,赵菁菁,徐建鸿,等.微通道中气体离子液体两相流动与分散性能[J].化工学报,2014,65:55-60. TAN J,ZHAO J J,XU J H,et al.Flow and dispersion performance of gas/ionic liquid systems in microchannels[J].CIESC Journal,2014,65:55-60.
[61] 张璠玢,朱春英,付涛涛,等.微通道内离子液体/乙醇混合溶液吸收CO₂的传质特性[J].化工学报,2016,68:601-611. ZHANG P F,ZHU C Y,FU T T,et al.Mass transfer performance of CO₂ absorption into ionic liquid/ethanol mixture in microchannel[J]. CIESC Journal,2016,68:601-611.
[62] 董海峰.离子液体反应器内气液两相流动特性的研究[D].北京:中国科学院过程工程研究所,2010. DONG H F.Investigation on hydrodynamic of gas-liquid in ionic liquids reactor[D].Beijing:Institute of Process Engineering,Chinese Academy of Sciences,2010.
[63] ZHANG X,DONG H,HUANG Y,et al.Experimental study on gas holdup and bubble behavior in carbon capture systems with ionic liquid[J].Chemical Engineering Journal,2012,209:607-615.
[64] WANG X,DONG H,ZHANG X,et al.Numerical simulation of single bubble motion in ionic liquids[J].Chemical Engineering Science,2010,65:6036-6047.
[65] CARVAJAL D,CARLESI C,MELENDEZ-VEJAR V,et al.Numerical simulation of single-bubble dynamics in high-viscosity ionic liquids using the level-set method[J].Chemical Engineering & Technology,2015,38:473-481.
[66] BAO D,ZHANG X,DONG H,et al.Numerical simulations of bubble behavior and mass transfer in CO₂ capture system with ionic liquids[J]. Chemical Engineering Science,2015,135:76-88.
[67] YU G,ZHAO D,WEN L,et al.Viscosity of ionic liquids:database,observation,and quantitative structure-property relationship analysis[J]. AIChE Journal,2012,58:2885-2899.
[68] 鲍迪.离子液体体系中气泡行为与传递特性的数值模拟[D].北京:中国科学院过程工程研究所,2016. BAO D.Numerical simulation of bubble behaviors and transport phenomena in ionic liquid systems[D]. Beijing:Institute of Process Engineering,Chinese Academy of Sciences,2016.
[69] HUANG Y,DONG H,ZHANG X,et al. New fragment contribution-corresponding states method for physicochemical properties prediction of ionic liquids[J]. AIChE Journal,2013,59:1348-1359.
[70] SHIRANI E,ASHGRIZ N,MOSTAGHIMI J.Interface pressure calculation based on conservation of momentum for front capturing methods[J].Journal of Computational Physics,2005,203:154-175.
[71] WANG X,DONG H,ZHANG X,et al.Numerical simulation of absorbing CO₂ with ionic liquids[J]. Chemical Engineering & Technology,2010,33:1615-1624.
[72] LUO H,SVENDSEN H F.Theoretical model for drop and bubble breakup in turbulent dispersions[J].AIChE Journal,1996,42:1225-1233.
[73] 徐琰,董海峰,田肖,等.鼓泡塔中离子液体-空气两相流的CFD-PBM耦合模拟[J].化工学报,2011,62:2699-2706. XU Y,DONG H F,TIAN X,et al.CFD-PBM coupled simulation of ionic liquid-air two-phase flow in bubble column[J]. CIESC Journal,2011,62:2699-2706.
[74] 王福军.计算流体动力学分析-CFD软件原理与应用[M].北京:清华大学出版社,2004. WANG F J.Computational fluid dynamics analysis:application and principles of CFD software[M].Beijing:Tsinghua University Press,2004.
[75] OUYANG Z,BAO D,ZHANG X,et al.Numerical simulation of CO₂-ionic liquid flow in a stirred tank[J].Science China-Chemistry,2015,58:1918-1928.
[76] BRUCATO A,GRISAFI F,MONTANTE G.Particle drag coefficients in turbulent fluids[J].Chemical Engineering Science,1998,53:3295-3314.
[77] 张芳芳,丁玉栋,朱恂,等.不同流型下离子液体-MEA复合工质平板降膜吸收CO₂特性[J].化工学报,2015,66:1670-1676. ZHANG F F,DING Y D,ZHU X,et al.Falling film absorption of CO₂ into ionic liquid-MEA mixed solutions with different flow patterns[J].CIESC Journal,2015,66:1670-1676.
[78] 项银.离子液体吸收CO₂塔内构件的研究[D].北京:北京化工大学,2014. XIANG Y.Study of column internals on ionic liquids absorb CO₂[D].Beijing:Beijing University of Chemical Technology,2014.
[79] 代成娜,项银,雷志刚.规整填料塔中离子液体吸收CO₂的传质与流体动力学性能[J].化工学报,2015,66:2953-2961. DAI C N,XIANG Y,LEI Z G.Mass transfer and hydraulic performance of CO₂ absorption by ionic liquids over structured packings[J].CIESC Journal,2015,66:2953-2961.
[80] TSAOULIDIS D,DORE V,ANGELI P,et al.Flow patterns and pressure drop of ionic liquid-water two-phase flows in microchannels[J]. International Journal of Multiphase Flow,2013,54:1-10.
[81] TSAOULIDIS D,ANGELI P.Effect of channel size on liquid-liquid plug flow in small channels[J].AIChE Journal,2016,62:315-324.
[82] BAI L,FU Y,ZHAO S,et al.Droplet formation in a microfluidic T-junction involving highly viscous fluid systems[J].Chemical Engineering Science,2016,145:141-148.
[83] HUANG J P,GE X H,XU J H,et al.Controlled formation and coalescence of paramagnetic ionic liquid droplets under magnetic field in coaxial microfluidic devices[J].Chemical Engineering Science,2016,152:293-300.
[84] FENG X,YI Y,YU X,et al.Generation of water-ionic liquid droplet pairs in soybean oil on microfluidic chip[J].Lab on a Chip,2010,10:313-319.
[85] 张欣.离子液体气液体系流动及传质规律研究[D].北京:中国科学院过程工程研究所,2015. ZHANG X.Study on the hydrodynamics and mass transfer properties in gas-ionic liquid systems[D]. Beijing:Institute of Process Engineering,Chinese Academy of Sciences,2015.
[86] ONINK F,DRUMM C,MEINDERSMA G W,et al.Hydrodynamic behavior analysis of a rotating disc contactor for aromatics extraction with 4-methyl-butyl-pyridinium center dot BF₄ by CFD[J].Chemical Engineering Journal,2010,160:511-521.
[87] KAMINSKI K,KRAWCZYK M,AUGUSTYNIAK J,et al.Electrically induced liquid-liquid extraction from organic mixtures with cross mark the use of ionic liquids[J].Chemical Engineering Journal,2014,235:109-123.
[88] TORRES-MARTINEZ D,MELGAREJO-TORRES R,GUTIERREZ-ROJAS M,et al. Hydrodynamic and oxygen mass transfer studies in a three-phase(air-water-ionic liquid) stirred tank bioreactor[J]. Biochemical Engineering Journal,2009,45:209-217.
[89] GOETZ M,LEFEBVRE J,MOERS F,et al.Hydrodynamics of organic and ionic liquids in a slurry bubble column reactor operated at elevated temperatures[J].Chemical Engineering Journal,2016,286:348-360.