1. Mounfield III, W.P.; Taborga Claure, M.; Agrawal, P.K.; Jones, C.W.; and K.S. Walton, Synergistic Effect of Mixed Oxide on the Adsorption of Ammonia with Metal-Organic Frameworks, Industrial & Engineering Chemistry Research2016, accepted. PDF

  2. Torres-Knoop, A.; Burtch, N.C.; Poursaeidesfahani, A.; Balaji, S.P.; Kools, R.; Smit, F.X.; Walton, K.S.; Vlugt, T.J.H.; and D. Dubbeldam, Optimization of Particle Transfers in the Gibbs Ensemble for Systems with Strong and Directional Interactions Using CBMC, CFCMC, and CB/CFCMC, Journal of Physical Chemistry C2016, in press. PDF

  3. Qu, C.; Jiao, Y.; Zhao, B.; Chen, D.; Zou, R.; Walton, K.S.; and M. Liu, Nickel-based pillared MOFs for high-performance supercapaciitors: Design, synthesis and stability study, Nano Energy2016, in press. PDF

  4. Darunte, L.A.; Walton, K.S.; Sholl, D.S.;  and C.W. Jones, COcapture via adsorption in amine-functionalized sorbents, Current Opinion in Chemical Engineering2016, 12, 82-90. PDF

  5. Mounfield III, W.P.; Tumuluri, U.; Jiao, Y.; Meijun, L.; Dai, S.; Wu, Z.; and K.S. Walton, Role of defects and metal coordination on adsorption of acid gases in MOFs and metal oxides: An in situ IR spectroscopic study, Microporous and Mesoporous Materials2016, 227, 65-75. PDF

  6. Jiao, Y.; Morelock, C.R.; Burtch, N.C.; Mounfield III, W.P.; Hungerford, J.T.; and K.S. Walton, Tuning the Kinetic Water Stability and Adsorption Interactions of Mg-MOF-74 by Partial Subsitition with Co or Ni, Industrial & Engineering Chemistry Research2015, 54, 12408-12414. PDF

  7. Burtch, N.C. and K.S. Walton, Modulating Adsorptino and Stability Properties in Pillared Metal-Organic Frameworks: A Model System for Understanding Ligand Effects, Accounts of Chemical Research2015, 48, 2850-2857. PDF

  8. Mangarella, M.C. and K.S. Walton, Tailored Fe3C-derived carbons with embedded Fe nanoparticles for ammonia adsorption, Carbon2015, 95, 208-219. PDF

  9. K.S. Walton and D.S. Sholl, Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory, AIChE Journal2015, 61, 2757-2762. PDF

  10. K.S. Walton, Inorganic Chemistry: Movies of a growth mechanism, Nature2015, 523, 535-536. PDF

  11. Burtch, N.C.; Dubbeldam, D.; and K.S. Walton, Investigating water and framework dynamics in pillared MOFs, Molecular Simulation2015, 41, 1379-1387. PDF

  12. Burtch, N.C., Torres-Knoop, A., Foo, G.S., Leisen, J., Sievers, C., Ensing, B., Dubbeldam, D., and K.S. Walton, Understanding DABCO Nanorotor Dynamics in Isostructural Metal-Organic Frameworks, Journal of Physical Chemistry Letters2015, 6, 812-816. PDF

  13. Mounfield III, W.P. and K.S. Walton, Effect of synthesis solvent on the breathing behavior of MIL-53(Al), Journal of Colloid and Interface Science2015, 447, 33-39. PDF

  14. Jasuja, H., Peterson, G.W., Decoste, J.B., Browe, M.A., and K.S. Walton, Evaluation of MOFs for air purification and air quality control applications: Ammonia removal from air, Chemical Engineering Science2015, 124, 118-124. PDF

  15. Mangarella, M.C., Ewbank, J.L., Dutzer, M.R., Alamgir, F.M., and K.S. Walton, Synthesis of embedded iron nanoparticles in Fe3C-derived carbons, Carbon2014, 79, 74-84. PDF

  16. Karra, J.R, Jasuja, H., Huang, Y.-G., and K.S. Walton, Structural stability of BTTB-based metal-organic frameworks under humid conditions, Journal of Materials Chemistry A2014, 3, 1624-1631. PDF

  17. Jasuja, H., Jiao, Y., Burtch, N.C., Huang, Y.-G., and K.S. Walton, Synthesis of Cobalt-, Nickel-, Copper-, and Zinc-Based, Water-Stable, Pillard Metal-Organic Frameworks, Langmuir2014, 30, 14300-14307. PDF

  18. Tulig, K., and K.S. Walton, An alternative UiO-66 synthesis for HCl-sensitive nanoparticle encapsulation, RSC Advances2014, 4, 51090-51083. PDF

  19. Burtch, N.C., Jasuja, H., and K.S. Walton, Water Stability and Adsorption in Metal-Organic Frameworks, Chemical Reviews2014, 114, 10575-10612. PDF

  20. Cai, Y., Kulkarni, A.R., Huang, Y.-G., Sholl, D.S., and K.S. Walton, Control of Metal-Organic Framework Crystal Topology by Ligand Functionalization: Functionalized HKUST-1 Derivatives, Crystal Growth & Design2014, 14, 6122-6128. PDF

  21. Walton, K.S., Metal-organic frameworks: Recognizing the unrecognizable, Nature Chemistry2014, 6, 277-278. PDF

  22. Dubbeldam, D., A. Torres-Knoop, and K.S. Walton, On the inner workings of Monte Carlo codes, Molecular Simulation2013, 39, 1253-1292. PDF

  23. Jasuja, H. and K.S. Walton, Effect of catenation and basicity of pillard ligands on the water stability of MOFs, Dalton Transactions2013, 42, 15421-15426. PDF

  24. Peterson, G.W., DeCoste, J.B., Glover, T.G., Huang, Y.-G., Jasuja, H., and K. S. Walton, Effects of Pellitization Pressure on the Physical and Chemical Properties of the Metal-Organic Frameworks Cu3(BTC)2 and UiO-66Microporous and Mesoporous Materials A2013, 179, 48-53. PDF

  25. Schoenecker, P. M., G. A. Belancik, B. E. Grabicka, and K. S. Walton, Kinetic Study and Crystallization Process Design for Scale-Up of UiO-66-NH2 Synthesis, AIChE Journal2012, 49, 1255-1262. PDF

  26. Han, S.,  Y.-G. Huang, T. Watanabe, S. Nair, K. S. Walton, D. S. Sholl, and C. Meredith. MOF stability and gas adsorption as a function of exposure to water, humid air, SO2, and NO2Microporous and Mesoporous Materials, 2013, 173, 86-91. PDF

  27. Burtch, N.C., Jasuja, H., Dubbeldam, D., and K. S. Walton. Molecular-Level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks, Journal of the American Chemical Society2013, 135, 7172-7180. PDF

  28. Jasuja, H. and K. S. Walton, Experimental Study of CO2, CH4, and Water Vapor Adsorption on a Dimethyl-Functionalized UiO-66 Framework, Journal of Physical Chemistry C2013, 117, 7062-7068. PDF

  29. DeCoste, J.B., Peterson, G.W., Jasuja, H., Glover, T.G., Huang, Y.-G., and K. S. Walton, Stability and degredation mechanisms of metal-organic frameworks containing the Zr6O4(OH)4 secondary building unit, Journal of Materials Chemistry A2013, 1, 5642-5650. PDF

  30. Karra, J. R., Y.-G. Huang, and K. S. Walton.  Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB, Crystal Growth & Design2013​, 13, 1075-1081. PDF

  31. Jasuja, H., Burtch, N.C., Huang, Y.-G., Cai, Y., and K. S. Walton, Kinetic Water Stability of an Isostructural Family of Zinc-Based Pillared Metal-Organic Frameworks, Langmuir2013, 29, 633-642. PDF

  32. Karra, J. R., B. E. Grabicka, Y.-G. Huang, and K. S. Walton.  Adsorption Study of CO2, CH4, N2, and H2O on an Interwoven Copper Carboxylate Metal-Organic Framework (MOF-14), Journal of Colloid and Interface Science2013​, 392, 331-336. PDF

  33. Cmarik, G.E., M. Kim, S.M. Cohen, and K.S. Walton. Tuning the Adsorption Properties of UiO-66 via Ligand Functionalization, Langmuir2012, 28, 15606-15613. PDF

  34. Jasuja, H., Zang, J., D.S. Sholl, and K. S. Walton, Rational Tuning of Water Vapor and CO2 Adsorption in Highly Stable Zr-Based MOFs, Journal of Physical Chemistry C2012, 116, 23526-23532. PDF

  35. Jasuja, H. and K. S. Walton, Adjusting the Stability of Metal-Organic Frameworks under Humid Conditions by Ligand Functionalization, Langmuir2012, 28, 16874-16880. PDF

  36. Vilhelmsen, L., K. S. Walton, and D. S. Sholl. Structure and Mobility of Metal Clusters in MOFs: Au, Pd, and AuPd clusters in MOF-74, Journal of the American Chemical Society, 2012, 134 (30), 12807–12816. PDF

  37. Han, S.,  Y.-G. Huang, T. Watanabe, K. S. Walton, S. Nair, D. S. Sholl, and C. Meredith. High-Throughput Screening of Metal Organic Frameworks (MOFs) for CO2 Separation, ACS Combinatorial Science, 2012, 14, 263-267. PDF

  38. Cai, Y., Y. Zhang, Y.-G. Huang, S. Marder, and K. S. Walton. Impact of Alkyl-Functionalized BTC on Properties of Copper-Based Metal-Organic Frameworks, Crystal Growth & Design, 2012, 12 (7), 3709–3713. PDF

  39. Schoenecker, P. M., H. J. Jasuja, C. G. Carson, C. J. Flemming, and K. S. Walton.  Effect of Water Adsorption on Retention of Structure and Surface Area in Metal-Organic Frameworks, Industrial & Engineering Chemistry Research, 2012, 51 (18), pp 6513–6519. PDF

  40. Mu, B., F. Li, Y. Huang, K. S. Walton. Breathing Effects of CO2 Adsorption on a Flexible 3D Lanthanide Metal-Organic Framework, Journal of Materials Chemistry, 2012, 22(20), 10172-10178. (invited, special issue “Integrating Functionality into Metal-Organic Frameworks”) PDF

  41. Mu, B. and K. S. Walton. Thermal Analysis and Heat Capacity Study of Metal-Organic Frameworks, Journal of Physical Chemistry C, 2011, 115, 22748-22754. PDF

  42. Guang, L., O. K. Farha, L. E. Kreno, P. M. Schoenecker, K. S. Walton, R. P. VanDuyne, and J. T. Hupp. Fabrication of Metal-Organic Framework-Containing Silica-Colloidal Crystals for Vapor Sensing, Advanced Materials, 2011, 23 (38), 4449. PDF

  43. Huang, Y., B. Mu, P. M. Schoenecker, C. Carson, J. R. Karra, Y. Cai, and K. S. Walton. A Porous Flexible Homochiral Array of Single-Stranded Helical Nanotubes Exhibiting Single-Crystal-to-Single-Crystal Oxidation Transformation, Angewandte Chemie-International Edition, 2011, 50 (2), 436-440. PDF

  44. Mu, B. and K. S. Walton. High Pressure Adsorption Equilibrium of CO2, CH4, and CO in an Impregnated Carbon, Journal of Chemical and Engineering Data, 2011, 56 (3), 390-397. PDF

  45. Mu, B. and K. S. Walton. Adsorption Equilibrium of Methane and Carbon Dioxide on Porous Metal-Organic Framework Zn-BTB, Adsorption, 2011, 17 (5), 777-782. PDF

  46. Karra, J. R., K. S. Walton. Molecular Simulations and Experimental Studies of CO2, CO, and N2 Adsorption in Metal-Organic Frameworks, Journal of Physical Chemistry C, 2010, 114, 15735-15740. PDF

  47. Mu, B., Y. Huang, K. S. Walton. A Metal-Organic Framework with Coordinatively Unsaturated Metal Centers and Microporous Structure, CrystEngComm, 2010, 12, 2347-2349. (New Talent themed issue) PDF

  48. Mu, B., P. M. Schoenecker, K. S. Walton.  Gas Adsorption Study on Mesoporous Metal-Organic Framework UMCM-1, Journal of Physical Chemistry C, 2010, 114, 6464-6471. PDF

  49. Bae, Y.-S., D. Dubbledam, A. Nelson, K. S. Walton, J. T. Hupp, R. Q. Snurr.  Strategies for Characterization of Large-pore Metal-Organic Frameworks by Combined Experimental and Computational Methods, Chemistry of Materials, 2009, 21, 4768-4777. PDF

  50. Mu, B., F. Li, and K.S. Walton. A Novel Metal-Organic Coordination Polymer for Selective Adsorption of CO2 over CH4, Chemical Communications, 2009, 2493-2495. PDF

  51. Akbar, S., M. Pukala, and K. S. Walton.  Adsorption of Aqueous Solutions of Carboxylic Acids on Montmorillonite, Silicalite, H-ZSM-5 and their Na+ and Li+ Exchanged Forms, Journal of the Chemical Society of Pakistan, 2008, 30, 546-548. PDF

  52. Dubbledam, D., C.J. Galvin, K.S. Walton, D.E. Ellis, and R.Q. Snurr. Separation and Molecular-level Segregation of Complex Alkane Mixtures using Metal-Organic Frameworks, Journal of the American Chemical Society, 2008, 130, 10884-10885. PDF

  53. Karra, J.R. and K.S. Walton. Effect of Open Metal Sites on Adsorption of Polar and Nonpolar Molecules in Metal-Organic Framework Cu-BTC, Langmuir, 2008, 24, 8620-8626. PDF

  54. Walton, K. S., A. R. Millward, D. Dubbeldam, H. Frost, J. J. Low, O. M. Yaghi, and R. Q. Snurr. Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks, Journal of the American Chemical Society, 2008, 130, 406-407. PDF

  55. Düren, T., F. Millange, G. Férey, K. S. Walton, and R. Q. Snurr. Calculating Geometric Surface Areas as a Characterization Tool for Metal-Organic Frameworks . Journal of Physical Chemistry C, 2007, 111(42), 15350-15356. PDF

  56. Dubbeldam, D., H. Frost, K. S. Walton, D. E. Ellis, and R. Q. Snurr. Molecular Simulation of Adsorption Sites of Light Gases in the Metal-Organic Framework IRMOF-1.  Fluid Phase Equilibria, 2007, 261, 152-161. PDF

  57. Walton, K. S. and R. Q. Snurr. Applicability of the BET Method for Determining Surface Areas of Metal-Organic Frameworks. Journal of the American Chemical Society, 2007, 129, 8552-8556. PDF

  58. Dubbeldam, D., K. S. Walton, D. E. Ellis, and R. Q. Snurr. Exceptional Negative Thermal Expansion in Metal-Organic Frameworks. Angewandte Chemie, 2007, 46, 4496-4499. PDF

  59. Walton, K. S., M. B. Abney, and M. D. LeVan. Adsorption of CO2 in Y and X Zeolites Modified by Alkali Metal Cation Exchange. Microporous and Mesoporous Materials, 2006, 91, 78–84. PDF

  60. Walton, K. S., and M. D. LeVan. Natural Gas Storage Cycles: Influence of Nonisothermal Effects and Heavy Alkanes. Adsorption, 2006, 12, 227–235. PDF

  61. Walton, K. S., and M. D. LeVan. A Novel Adsorption Cycle for CO2 Recovery: Experimental and Theoretical Investigations of a Temperature Swing Compression Process. Separation Science and Technology, 2006, 41, 485–500. PDF

  62. Walton, K. S., C. L. Cavalcante Jr., and M. D. LeVan. Adsorption of Light Alkanes on Coconut Nanoporous Activated Carbon. Brazilian Journal of Chemical Engineering, 2006, 23, 551–561. PDF

  63. Walton, K. S., and M. D. LeVan. Adsorbed-Phase Heat Capacities: Thermodynamically Consistent Values Determined from Temperature-Dependent Equilibrium Models. Industrial and Engineering Chemistry Research, 2005, 44, 178-182. PDF

  64. Walton, K. S., and M. D. LeVan. Development of Energy Balances for Fixed-Bed Adsorption Processes: Thermodynamic Paths, Heat Capacities, and Isosteric Heats.  Adsorption, 2005, 11, 555-559. PDF

  65. Walton, K. S., and M. D. LeVan. Effect of Energy Balance Approximations on Simulation of Fixed-Bed Adsorption. Industrial and Engineering Chemistry Research, 2005, 44, 7474–7480. PDF

  66. Walton, K. S., C. L. Cavalcante Jr., and M. D. LeVan. Adsorption Equilibrium of Alkanes on a High Surface Area Activated Carbon Prepared from Brazilian Coconut Shells. Adsorption, 2005, 11, 107–111. PDF

  67. Walton, K. S., G. Pigorini, and M. D. LeVan. Simple Group Contribution Theory for Adsorption of Alkanes in Nanoporous Carbons. Chemical Engineering Science, 2004, 59, 4425–4432. PDF

  68. Walton, K. S., and M. D. LeVan. Consistency of Energy and Material Balances for Bidisperse Particles in Fixed-Bed Adsorption and Related Applications. Industrial & Engineering Chemistry Research, 2003, 42, 6938–6948. PDF