Items where Author is "van Baten, J. M."

Article

Herm, Z. R. ; Wiers, B. M. ; Mason, J. A. ; van Baten, J. M. ; Hudson, M. R. ; Zajdel, P. ; Brown, C. M. ; Masciocchi, N. ; Krishna, R. ; Long, J. R. (2013) Separation of hexane isomers in a metal-organic framework with triangular channels Science, 340 (6135). pp. 960-964. ISSN 0036-8075

Chmelik, C. ; Heinke, L. ; van Baten, J. M. ; Krishna, R. (2009) Diffusion of n-butane/iso-butane mixtures in silicalite-1 investigated using infrared (IR) microscopy Microporous and Mesoporous Materials, 125 (1-2). pp. 11-16. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2009) A molecular dynamics investigation of a variety of influences of temperature on diffusion in zeolites Microporous and Mesoporous Materials, 125 (1-2). pp. 126-134. ISSN 1387-1811

Seehamart, K. ; Nanok, T. ; Krishna, R. ; van Baten, J. M. ; Remsungnen, T. ; Fritzsche, S. (2009) A molecular dynamics investigation of the influence of framework flexibility on self-diffusivity of ethane in Zn(tbip) frameworks Microporous and Mesoporous Materials, 125 (1-2). pp. 97-100. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2009) Unified Maxwell-Stefan description of binary mixture diffusion in micro- and meso- porous materials Chemical Engineering Science, 64 (13). pp. 3159-3178. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (2009) An investigation of the characteristics of Maxwell- Stefan diffusivities of binary mixtures in silica nanopores Chemical Engineering Science, 64 (5). pp. 870-882. ISSN 0009-2509

Chmelik, C. ; Kärger, J. ; Wiebcke, M. ; Caro, J. ; van Baten, J. M. ; Krishna, R. (2009) Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations Microporous and Mesoporous Materials, 117 (1-2). pp. 22-32. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2008) Segregation effects in adsorption of CO₂ containing mixtures and their consequences for separation selectivities in cage-type zeolites Separation and Purification Technology, 61 (3). pp. 414-423. ISSN 1383-5866

Krishna, R. ; van Baten, J. M. (2008) Diffusion of hydrocarbon mixtures in MFI zeolite: influence of intersection blocking The Chemical Engineering Journal, 140 (1-3). pp. 614-620. ISSN 0300-9467

Chmelik, C. ; Heinke, L. ; Kärgera, J. ; Schmidt, W. ; Shah, D. B. ; van Baten, J. M. ; Krishna, R. (2008) Inflection in the loading dependence of the Maxwell-Stefan diffusivity of iso-butane in MFI zeolite Chemical Physics Letters, 459 (1-6). pp. 141-145. ISSN 0009-2614

Krishna, R. ; van Baten, J. M. (2008) Onsager coefficients for binary mixture diffusion in nanopores Chemical Engineering Science, 63 (12). pp. 3120-3140. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (2008) Separating n-alkane mixtures by exploiting differences in the adsorption capacity within cages of CHA, AFX and ERI zeolites Separation and Purification Technology, 60 (3). pp. 315-320. ISSN 1383-5866

Krishna, R. ; van Baten, J. M. (2008) Insights into diffusion of gases in zeolites gained from molecular dynamics simulations Microporous and Mesoporous Materials, 109 (1-3). pp. 91-108. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2008) Diffusion of alkane mixtures in MFI zeolite Microporous and Mesoporous Materials, 107 (3). pp. 296-298. ISSN 1387-1811

Hansen, N. ; Krishna, R. ; van Baten, J. M. ; Bell, A. T. ; Keil, F. J. (2008) Analysis of diffusion limitation in the alkylation of benzene over H-ZSM-5 by combining quantum chemical calculations, molecular simulations, and a continuum approach The Journal of Physical Chemistry C, 113 (1). pp. 235-246. ISSN 0022-3654

Krishna, R. ; van Baten, J. M. (2007) Influence of segregated adsorption on mixture diffusion in DDR zeolite Chemical Physics Letters, 446 (4-6). pp. 344-349. ISSN 0009-2614

Fernandez, Moises ; Kärger, Jörg ; Freude, Dieter ; Pampel, André ; van Baten, J. M. ; Krishna, R. (2007) Mixture diffusion in zeolites studied by MAS PFG NMR and molecular simulation Microporous and Mesoporous Materials, 105 (1-2). pp. 124-131. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2007) Using molecular simulations for screening of zeolites for separation of CO₂/CH₄ mixtures The Chemical Engineering Journal, 133 (1-3). pp. 121-131. ISSN 0300-9467

Krishna, R. ; van Baten, J. M. (2007) Loading dependence of self-diffusivities of gases in zeolites Chemical Engineering & Technology, 30 (9). pp. 1235-1241. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. (2007) Screening of zeolite adsorbents for separation of hexane isomers: a molecular simulation study Separation and Purification Technology, 55 (2). pp. 246-255. ISSN 1383-5866

García-Pérez, E. ; Parra, J. B. ; Ania, C. O. ; García-Sánchez, A. ; van Baten, J. M. ; Krishna, R. ; Dubbeldam, D. ; Calero, S. (2007) A computational study of CO₂, N₂ and CH₄ adsorption in zeolites Adsorption, 13 (5-6). pp. 469-476. ISSN 0929-5607

Krishna, R. ; van Baten, J. M. (2006) A molecular dynamic investigation of the diffusion of methane-ethane and methane-propane mixtures in zeolites Chemical Engineering & Technology, 29 (12). pp. 1429-1437. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. ; García-Pérez, E. ; Calero, S. (2006) Diffusion of CH₄ and CO₂ in MFI, CHA and DDR zeolites Chemical Physics Letters, 429 (1-3). pp. 219-224. ISSN 0009-2614

Krishna, R. ; van Baten, J. M. ; Garcia-Pérez, E. ; Calero, S. (2006) Incorporating the loading dependence of the Maxwell- Stefan diffusivity in the modeling of CH₄ and CO₂ permeation across zeolite membranes Industrial & Engineering Chemistry Research, 46 (10). pp. 2974-2986. ISSN 0888-5885

Krishna, R. ; van Baten, J. M. (2006) Validating the darken relation for diffusivities in fluid mixtures of varying densities by use of MD simulations Chemical Engineering & Technology, 29 (6). pp. 761-765. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. (2006) MD simulations of diffusivities in methanol-n-hexane mixtures near the liquid-liquid phase splitting region Chemical Engineering & Technology, 29 (4). pp. 516-519. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. (2006) Linking the loading dependence of the Maxwell-Stefan diffusivity of linear alkanes in zeolites with the thermodynamic correction factor Chemical Physics Letters, 420 (4-6). pp. 545-549. ISSN 0009-2614

Krishna, R. ; van Baten, J. M. (2006) Describing binary mixture diffusion in carbon nanotubes with the Maxwell-Stefan equations. An investigation using molecular dynamics simulations Industrial & Engineering Chemistry Research, 45 (6). pp. 2084-2093. ISSN 0888-5885

Jobic, H. ; Laloué, N. ; Laroche, C. ; van Baten, J. M. ; Krishna, R. (2006) Influence of isotherm inflection on the loading dependence of the diffusivities of n-hexane and n-heptane in MFI zeolite: quasi-elastic neutron scattering experiments supplemented by molecular simulations The Journal of Physical Chemistry B, 110 (5). pp. 2195-2201. ISSN 1089-5647

van Baten, J. M. ; Krishna, R. (2005) Entropy effects in adsorption and diffusion of alkane isomers in mordenite: an investigation using CBMC and MD simulations Microporous and Mesoporous Materials, 84 (1-3). pp. 179-191. ISSN 1387-1811

Krishna, R. ; van Baten, J. M. (2005) The darken relation for multicomponent diffusion in liquid mixtures of linear alkanes: an investigation using molecular dynamics (MD) simulations Industrial & Engineering Chemistry Research, 44 (17). pp. 6939-6947. ISSN 0888-5885

Krishna, R. ; van Baten, J. M. (2005) Influence of isotherm inflection on the diffusivities of C5-C8 linear alkanes in MFI zeolite Chemical Physics Letters, 407 (1-3). pp. 159-165. ISSN 0009-2614

Krishna, R. ; van Baten, J. M. (2005) Diffusion of alkane mixtures in zeolites: validating the Maxwell-Stefan formulation using MD simulations The Journal of Physical Chemistry B, 109 (13). pp. 6386-6396. ISSN 1089-5647

van Baten, J. M. ; Krishna, R. (2005) CFD simulations of wall mass transfer for Taylor flow in circular capillaries Chemical Engineering Science, 60 (4). pp. 1117-1126. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (2005) Kinetic Monte Carlo simulations of the loading dependence of diffusion in Zeolites Chemical Engineering & Technology, 28 (2). pp. 160-167. ISSN 0930-7516

van Baten, J. M. ; Krishna, R. (2004) CFD modeling of bubble column reactor including the influence of gas contraction Chemical Engineering & Technology, 27 (12). pp. 1302-1308. ISSN 0930-7516

van Baten, J. M. ; Krishna, R. (2004) CFD simulations of mass transfer from Taylor bubbles rising in circular capillaries Chemical Engineering Science, 59 (12). pp. 2535-2545. ISSN 0009-2509

van Baten, J. M. ; Krishna, R. (2004) CFD modeling of a bubble column reactor carrying out a consecutive A _→ B → C reaction Chemical Engineering & Technology, 27 (4). pp. 398-406. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. ; Dubbeldam, D. (2004) On the inflection in the concentration dependence of the Maxwell-Stefan diffusivity of CF₄ in MFI zeolite The Journal of Physical Chemistry B, 108 (39). pp. 14820-14822. ISSN 1089-5647

van Baten, J. M. ; Krishna, R. (2003) Comparison of hydrodynamics and mass transfer in airlift and bubble column reactors using CFD Chemical Engineering & Technology, 26 (10). pp. 1074-1079. ISSN 0930-7516

van Baten, J. M. ; Ellenberger, J. ; Krishna, R. (2003) Hydrodynamics of internal air-lift reactors: experiments versus CFD simulations Chemical Engineering and Processing: Process Intensification, 42 (10). pp. 733-742. ISSN 0255-2701

Ellenberger, J. ; van Baten, J. M. ; Krishna, R. (2003) Intensification of bubble columns by vibration excitement Catalysis Today, 79-80 . pp. 181-188. ISSN 0920-5861

Krishna, R. ; van Baten, J. M. (2003) Mass transfer in bubble columns Catalysis Today, 79-80 . pp. 67-75. ISSN 0920-5861

van Baten, J. M. ; Krishna, R. (2003) Scale up studies on partitioned bubble column reactors with the aid of CFD simulations Catalysis Today, 79-80 . pp. 219-227. ISSN 0920-5861

van Baten, J. M. ; Ellenberger, J. ; Krishna, R. (2003) Scale-up strategy for bubble column slurry reactors using CFD simulations Catalysis Today, 79-80 . pp. 259-265. ISSN 0920-5861

Krishna, R. ; van Baten, J. M. (2003) A strategy for scaling up the Fischer-Tropsch bubble column slurry reactor Topics in Catalysis, 26 (1-4). pp. 21-28. ISSN 1022-5528

van Baten, J. M. ; Krishna, R. (2002) CFD simulations of a bubble column operating in the homogeneous and heterogeneous flow regimes Chemical Engineering & Technology, 25 (11). pp. 1081-1086. ISSN 0930-7516

Krishna, R. ; van Baten, J. M. (2002) Scaling up bubble column reactors with highly viscous liquid phase Chemical Engineering & Technology, 25 (10). pp. 1015-1020. ISSN 0930-7516

van Baten, J. M. ; Krishna, R. (2002) Gas and liquid phase mass transfer within KATAPAK-S^® structures studied using CFD simulations Chemical Engineering Science, 57 (9). pp. 1531-1536. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (2001) Eulerian simulations of bubble columns operating at elevated pressures in the churn turbulent flow regime Chemical Engineering Science, 56 (21-22). pp. 6249-6258. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (2001) Eulerian simulations of bubble columns operating at elevated pressures in the churn turbulent flow regime Chemical Engineering Science, 56 (21-22). pp. 6249-6258. ISSN 0009-2509

van Baten, J. M. ; Ellenberger, J. ; Krishna, R. (2001) Hydrodynamics of distillation tray column with structured catalyst containing envelopes: experiments versus CFD simulations Chemical Engineering & Technology, 24 (10). pp. 1077-1081. ISSN 0930-7516

van Baten, J. M. ; Krishna, R. (2001) Liquid-phase mass transfer within KATAPAK-S^® structures studied using computational fluid dynamics simulations Catalysis Today, 69 (1-4). pp. 371-377. ISSN 0920-5861

Krishna, R. ; van Baten, J. M. (2001) Simulating the rise characteristics of gas bubbles in liquids using CFD Chemical Engineering & Technology, 24 (4). pp. 427-430. ISSN 0930-7516

van Baten, J. M. ; Ellenberger, J. ; Krishna, R. (2001) Hydrodynamics of reactive distillation tray column with catalyst containing envelopes: experiments vs. CFD simulations Catalysis Today, 66 (2-4). pp. 233-240. ISSN 0920-5861

Krishna, R. ; van Baten, J. M. ; Urseanu, M. I. ; Ellenberger, J. (2001) A scale up strategy for bubble column slurry reactors Catalysis Today, 66 (2-4). pp. 199-207. ISSN 0920-5861

Krishna, R. ; van Baten, J. M. (2001) Using CFD for scaling up gas-solid bubbling fluidised bed reactors with Geldart A powders The Chemical Engineering Journal, 82 (1-3). pp. 247-257. ISSN 0300-9467

van Baten, J. M. ; Ellenberger, J. ; Krishna, R. (2001) Radial and axial dispersion of the liquid phase within a KATAPAK-S^® structure: experiments vs. CFD simulations Chemical Engineering Science, 56 (3). pp. 813-821. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. ; Urseanu, M. I. ; Ellenberger, J. (2001) Design and scale up of a bubble column slurry reactor for Fischer-Tropsch synthesis Chemical Engineering Science, 56 (2). pp. 537-545. ISSN 0009-2509

van Baten, J. M. ; Krishna, R. (2001) Eulerian simulations for determination of the axial dispersion of liquid and gas phases in bubble columns operating in the churn-turbulent regime Chemical Engineering Science, 56 (2). pp. 503-512. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. ; Urseanu, M. I. ; Ellenberger, J. (2000) Rise velocity of single circular-cap bubbles in two-dimensional beds of powders and liquids Chemical Engineering and Processing: Process Intensification, 39 (5). pp. 433-440. ISSN 0255-2701

Krishna, R. ; van Baten, J. M. ; Urseanu, M. I. (2000) Three-phase Eulerian simulations of bubble column reactors operating in the churn-turbulent regime: a scale up strategy Chemical Engineering Science, 55 (16). pp. 3275-3286. ISSN 0009-2509

Krishna, R. ; Urseanu, M. I. ; van Baten, J. M. ; Ellenberger, J. (2000) Liquid phase dispersion in bubble columns operating in the churn-turbulent flow regime The Chemical Engineering Journal, 78 (1). pp. 43-51. ISSN 0300-9467

van Baten, J. M. ; Krishna, R. (2000) Modelling sieve tray hydraulics using computational fluid dynamics Chemical Engineering Science, 77 (3). pp. 143-151. ISSN 0009-2509

Krishna, R. ; Urseanu, M. I. ; van Baten, J. M. ; Ellenberger, J. (1999) Influence of scale on the hydrodynamics of bubble columns operating in the churn-turbulent regime: experiments vs. Eulerian simulations Chemical Engineering Science, 54 (21). pp. 4903-4911. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. (1999) Rise characteristics of gas bubbles in a 2D rectangular column: VOF simulations vs experiments International Communications in Heat and Mass Transfer, 26 (7). pp. 965-974. ISSN 0735-1933

Krishna, R. ; Urseanu, M. I. ; van Baten, J. M. ; Ellenberger, J. (1999) Wall effects on the rise of single gas bubbles in liquids International Communications in Heat and Mass Transfer, 26 (6). pp. 781-790. ISSN 0735-1933

Krishna, R. ; van Baten, J. M. (1999) Simulating the motion of gas bubbles in a liquid Nature, 398 . p. 208. ISSN 0028-0836

Krishna, R. ; Urseanu, M. I. ; van Baten, J. M. ; Ellenberger, J. (1999) Rise velocity of a swarm of large gas bubbles in liquids Chemical Engineering Science, 54 (2). pp. 171-183. ISSN 0009-2509

Krishna, R. ; van Baten, J. M. ; Ellenberger, J. (1998) Scale effects in fluidized multiphase reactors Powder Technology, 100 (2-3). pp. 137-146. ISSN 0032-5910