Krista S. Walton, Ph.D. - Publications

Affiliations: 
School of Chemical and Biomolecular Engineering Georgia Institute of Technology, Atlanta, GA 

83 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Han R, Walton KS, Sholl DS. Does Chemical Engineering Research Have a Reproducibility Problem? Annual Review of Chemical and Biomolecular Engineering. PMID 30916992 DOI: 10.1146/annurev-chembioeng-060718-030323  0.36
2017 Heinen J, Burtch NC, Walton KS, Dubbeldam D. Flexible Force Field Parameterization through Fitting on the Ab Initio derived Elastic Tensor. Journal of Chemical Theory and Computation. PMID 28661672 DOI: 10.1021/acs.jctc.7b00310  0.72
2017 Darunte LA, Terada Y, Murdock CR, Walton KS, Sholl DS, Jones CW. Monolith Supported Amine Functionalized Mg2(dobpdc) Adsorbents for CO2 Capture. Acs Applied Materials & Interfaces. PMID 28440615 DOI: 10.1021/acsami.7b02035  0.36
2016 Heinen J, Burtch NC, Walton KS, Fonseca Guerra C, Dubbeldam D. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27805761 DOI: 10.1002/chem.201603895  0.72
2016 Mounfield WP, Tumuluri U, Jiao Y, Li M, Dai S, Wu Z, Walton KS. 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 Materials. 227: 65-75. DOI: 10.1016/j.micromeso.2016.02.023  1
2015 Burtch NC, Walton KS. Modulating Adsorption and Stability Properties in Pillared Metal-Organic Frameworks: A Model System for Understanding Ligand Effects. Accounts of Chemical Research. PMID 26529060 DOI: 10.1021/acs.accounts.5b00311  1
2015 Burtch NC, Torres-Knoop A, Foo GS, Leisen J, Sievers C, Ensing B, Dubbeldam D, Walton KS. Understanding DABCO Nanorotor Dynamics in Isostructural Metal-Organic Frameworks. The Journal of Physical Chemistry Letters. 6: 812-6. PMID 26262657 DOI: 10.1021/jz502653y  0.72
2015 Mounfield WP, Walton KS. Effect of synthesis solvent on the breathing behavior of MIL-53(Al). Journal of Colloid and Interface Science. 447: 33-9. PMID 25697686 DOI: 10.1016/j.jcis.2015.01.027  1
2015 Burtch NC, Dubbeldam D, Walton KS. Investigating water and framework dynamics in pillared MOFs Molecular Simulation. DOI: 10.1080/08927022.2015.1030861  1
2015 Karra JR, Jasuja H, Huang YG, Walton KS. Structural stability of BTTB -based metal-organic frameworks under humid conditions Journal of Materials Chemistry A. 3: 1624-1631. DOI: 10.1039/c4ta01372g  1
2015 Walton KS. Inorganic chemistry: Movies of a growth mechanism Nature. 523: 535-536. DOI: 10.1038/523535a  1
2015 Burtch NC, Torres-Knoop A, Foo GS, Leisen J, Sievers C, Ensing B, Dubbeldam D, Walton KS. Understanding DABCO nanorotor dynamics in isostructural metal-organic frameworks Journal of Physical Chemistry Letters. 6: 812-816. DOI: 10.1021/jz502653y  1
2015 Jiao Y, Morelock CR, Burtch NC, Mounfield WP, Hungerford JT, Walton KS. Tuning the Kinetic Water Stability and Adsorption Interactions of Mg-MOF-74 by Partial Substitution with Co or Ni Industrial and Engineering Chemistry Research. 54: 12408-12414. DOI: 10.1021/acs.iecr.5b03843  1
2015 Jasuja H, Peterson GW, Decoste JB, Browe MA, Walton KS. Evaluation of MOFs for air purification and air quality control applications: Ammonia removal from air Chemical Engineering Science. 124: 118-124. DOI: 10.1016/j.ces.2014.08.050  1
2015 Mangarella MC, Walton KS. Tailored Fe3C-derived carbons with embedded Fe nanoparticles for ammonia adsorption Carbon. 95: 208-219. DOI: 10.1016/j.carbon.2015.08.042  1
2015 Walton KS, Sholl DS. Predicting multicomponent adsorption: 50 years of the ideal adsorbed solution theory Aiche Journal. 61: 2757-2762. DOI: 10.1002/aic.14878  1
2015 Dubbeldam D, Walton KS. On the application of classical molecular simulations of adsorption in metal–organic frameworks Metal-Organic Frameworks: Materials Modeling Towards Potential Engineering Applications. 53-112.  1
2014 Jasuja H, Jiao Y, Burtch NC, Huang YG, Walton KS. Synthesis of cobalt-, nickel-, copper-, and zinc-based, water-stable, pillared metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 14300-7. PMID 25325734 DOI: 10.1021/la503269f  1
2014 Burtch NC, Jasuja H, Walton KS. Water stability and adsorption in metal-organic frameworks. Chemical Reviews. 114: 10575-612. PMID 25264821 DOI: 10.1021/cr5002589  1
2014 Walton KS. Metal-organic frameworks: recognizing the unrecognizable. Nature Chemistry. 6: 277-8. PMID 24651192 DOI: 10.1038/nchem.1910  1
2014 Tulig K, Walton KS. An alternative UiO-66 synthesis for HCl-sensitive nanoparticle encapsulation Rsc Advances. 4: 51080-51083. DOI: 10.1039/c4ra08856e  1
2014 Cai Y, Kulkarni AR, Huang YG, Sholl DS, Walton KS. Control of metal-organic framework crystal topology by ligand functionalization: Functionalized HKUST-1 derivatives Crystal Growth and Design. 14: 6122-6128. DOI: 10.1021/cg501285q  1
2014 Mangarella MC, Ewbank JL, Dutzer MR, Alamgir FM, Walton KS. Synthesis of embedded iron nanoparticles in Fe3C-derived carbons Carbon. 79: 74-84. DOI: 10.1016/j.carbon.2014.07.044  1
2013 Jasuja H, Walton KS. Effect of catenation and basicity of pillared ligands on the water stability of MOFs. Dalton Transactions (Cambridge, England : 2003). 42: 15421-6. PMID 24013951 DOI: 10.1039/c3dt51819a  1
2013 Burtch NC, Jasuja H, Dubbeldam D, Walton KS. Molecular-level insight into unusual low pressure CO2 affinity in pillared metal-organic frameworks. Journal of the American Chemical Society. 135: 7172-80. PMID 23635306 DOI: 10.1021/ja310770c  1
2013 Jasuja H, Burtch NC, Huang YG, Cai Y, Walton KS. Kinetic water stability of an isostructural family of zinc-based pillared metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 633-42. PMID 23214448 DOI: 10.1021/la304204k  1
2013 Karra JR, Grabicka BE, Huang YG, Walton KS. Adsorption study of CO2, CH4, N2, and H2O on an interwoven copper carboxylate metal-organic framework (MOF-14). Journal of Colloid and Interface Science. 392: 331-6. PMID 23158044 DOI: 10.1016/j.jcis.2012.10.018  1
2013 Dubbeldam D, Torres-Knoop A, Walton KS. On the inner workings of monte carlo codes Molecular Simulation. 39: 1253-1292. DOI: 10.1080/08927022.2013.819102  1
2013 Decoste JB, Peterson GW, Jasuja H, Glover TG, Huang YG, Walton KS. Stability and degradation mechanisms of metal-organic frameworks containing the Zr6O4(OH)4 secondary building unit Journal of Materials Chemistry A. 1: 5642-5650. DOI: 10.1039/c3ta10662d  1
2013 Jasuja H, Walton KS. Experimental study of CO2, CH4, and water vapor adsorption on a dimethyl-functionalized UiO-66 framework Journal of Physical Chemistry C. 117: 7062-7068. DOI: 10.1021/jp311857e  1
2013 Karra JR, Huang YG, Walton KS. Synthesis, characterization, and adsorption studies of nickel(II), zinc(II), and magnesium(II) coordination frameworks of BTTB Crystal Growth and Design. 13: 1075-1081. DOI: 10.1021/cg3013393  1
2013 Peterson GW, Decoste JB, Glover TG, Huang Y, Jasuja H, Walton KS. Effects of pelletization pressure on the physical and chemical properties of the metal-organic frameworks Cu3(BTC)2 and UiO-66 Microporous and Mesoporous Materials. 179: 48-53. DOI: 10.1016/j.micromeso.2013.02.025  1
2013 Han S, Huang Y, Watanabe T, Nair S, Walton KS, Sholl DS, Carson Meredith J. MOF stability and gas adsorption as a function of exposure to water, humid air, SO2, and NO2 Microporous and Mesoporous Materials. 173: 86-91. DOI: 10.1016/j.micromeso.2013.02.002  1
2013 Schoenecker PM, Belancik GA, Grabicka BE, Walton KS. Kinetics study and crystallization process design for scale-up of UiO-66-NH2 synthesis Aiche Journal. 59: 1255-1262. DOI: 10.1002/aic.13901  1
2012 Jasuja H, Huang YG, Walton KS. Adjusting the stability of metal-organic frameworks under humid conditions by ligand functionalization. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 16874-80. PMID 23134370 DOI: 10.1021/la304151r  1
2012 Cmarik GE, Kim M, Cohen SM, Walton KS. Tuning the adsorption properties of UiO-66 via ligand functionalization. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 15606-13. PMID 23057691 DOI: 10.1021/la3035352  1
2012 Vilhelmsen LB, Walton KS, Sholl DS. Structure and mobility of metal clusters in MOFs: Au, Pd, and AuPd clusters in MOF-74. Journal of the American Chemical Society. 134: 12807-16. PMID 22734664 DOI: 10.1021/ja305004a  1
2012 Han S, Huang Y, Watanabe T, Dai Y, Walton KS, Nair S, Sholl DS, Meredith JC. High-throughput screening of metal-organic frameworks for CO2 separation. Acs Combinatorial Science. 14: 263-7. PMID 22432503 DOI: 10.1021/co3000192  1
2012 Mu B, Li F, Huang Y, Walton KS. Breathing effects of CO2 adsorption on a flexible 3D lanthanide metal-organic framework Journal of Materials Chemistry. 22: 10172-10178. DOI: 10.1039/c2jm15721g  1
2012 Jasuja H, Zang J, Sholl DS, Walton KS. Rational tuning of water vapor and CO 2 adsorption in highly stable Zr-based MOFs Journal of Physical Chemistry C. 116: 23526-23532. DOI: 10.1021/jp308657x  1
2012 Schoenecker PM, Carson CG, Jasuja H, Flemming CJJ, Walton KS. Effect of water adsorption on retention of structure and surface area of metal-organic frameworks Industrial and Engineering Chemistry Research. 51: 6513-6519. DOI: 10.1021/ie202325p  1
2012 Cai Y, Zhang Y, Huang Y, Marder SR, Walton KS. Impact of alkyl-functionalized BTC on properties of copper-based metal-organic frameworks Crystal Growth and Design. 12: 3709-3713. DOI: 10.1021/cg300518k  1
2012 Han S, Huang Y, Watanabe T, Dai Y, Walton KS, Nair S, Sholl DS, Meredith JC. High-throughput screening of MOFs for CO2 separation Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings 0.6
2011 Lu G, Farha OK, Kreno LE, Schoenecker PM, Walton KS, Van Duyne RP, Hupp JT. Fabrication of metal-organic framework-containing silica-colloidal crystals for vapor sensing. Advanced Materials (Deerfield Beach, Fla.). 23: 4449-52. PMID 21858878 DOI: 10.1002/adma.201102116  1
2011 Huang YG, Mu B, Schoenecker PM, Carson CG, Karra JR, Cai Y, Walton KS. A porous flexible homochiral SrSi2 array of single-stranded helical nanotubes exhibiting single-crystal-to-single-crystal oxidation transformation. Angewandte Chemie (International Ed. in English). 50: 436-40. PMID 21117050 DOI: 10.1002/anie.201004921  1
2011 Mu B, Walton KS. Thermal analysis and heat capacity study of metal-organic frameworks Journal of Physical Chemistry C. 115: 22748-22754. DOI: 10.1021/jp205538a  1
2011 Mu B, Walton KS. High-pressure adsorption equilibrium of CO2, CH4, and CO on an impregnated activated carbon Journal of Chemical and Engineering Data. 56: 390-397. DOI: 10.1021/je1007668  1
2011 Mu B, Walton KS. Adsorption equilibrium of methane and carbon dioxide on porous metal-organic framework Zn-BTB Adsorption. 17: 777-782. DOI: 10.1007/s10450-011-9328-4  1
2010 Mu B, Huang Y, Walton KS. A metal-organic framework with coordinatively unsaturated metal centers and microporous structure Crystengcomm. 12: 2347-2349. DOI: 10.1039/c001485k  1
2010 Mu B, Schoenecker PM, Walton KS. Gas adsorption study on mesoporous metal-organic framework UMCM-1 Journal of Physical Chemistry C. 114: 6464-6471. DOI: 10.1021/jp906417z  1
2010 Karra JR, Walton KS. Molecular simulations and experimental studies of CO2, CO, and N2 adsorption in metal-organic frameworks Journal of Physical Chemistry C. 114: 15735-15740. DOI: 10.1021/jp105519h  1
2010 Karra JR, Walton KS. Investigation of the structural effects on adsorption of light gases in MOFs 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings 1
2009 Mu B, Li F, Walton KS. A novel metal-organic coordination polymer for selective adsorption of CO2 over CH4. Chemical Communications (Cambridge, England). 2493-5. PMID 19532867 DOI: 10.1039/b819828d  1
2009 Bae YS, Dubbeldam D, Nelson A, Walton KS, Hupp JT, Snurr RQ. Strategies for characterization of large-pore metal-organic frameworks by combined experimental and computational methods Chemistry of Materials. 21: 4768-4777. DOI: 10.1021/cm803218f  1
2009 Mu B, Walton KS, Li F. A novel metal-organic coordination polymer for selective adsorption of CO2 over CH4 Conference Proceedings - 2009 Aiche Annual Meeting, 09aiche 1
2008 Dubbeldam D, Galvin CJ, Walton KS, Ellis DE, Snurr RQ. Separation and molecular-level segregation of complex alkane mixtures in metal-organic frameworks Journal of the American Chemical Society. 130: 10884-10885. PMID 18651737 DOI: 10.1021/ja804039c  1
2008 Karra JR, Walton KS. Effect of open metal sites on adsorption of polar and nonpolar molecules in metal-organic framework Cu-BTC. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 8620-6. PMID 18630977 DOI: 10.1021/la800803w  1
2008 Walton KS, Millward AR, Dubbeldam D, Frost H, Low JJ, Yaghi OM, Snurr RQ. Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks. Journal of the American Chemical Society. 130: 406-7. PMID 18154291 DOI: 10.1021/ja076595g  1
2008 Karra JR, Walton KS. Effect of open metal sites on adsorption of polar and nonpolar molecules in metal-organic framework Cu-BTC Langmuir. 24: 8620-8626. DOI: 10.1021/la800803w  1
2008 Walton KS, Millward AR, Dubbeldam D, Frost H, Low JJ, Yaghi OM, Snurr RQ. Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks Journal of the American Chemical Society. 130: 406-407. DOI: 10.1021/ja076595g  1
2008 Karra JR, Walton KS. Metal-organic frameworks for adsorption separations Aiche 100 - 2008 Aiche Annual Meeting, Conference Proceedings 1
2008 Walton KS, Karra J. Effect of pore size, open metal sites, and functionalized ligands on adsorption of small molecules in metal-organic frameworks Aiche Annual Meeting, Conference Proceedings 1
2007 Walton KS, Snurr RQ. Applicability of the BET method for determining surface areas of microporous metal-organic frameworks. Journal of the American Chemical Society. 129: 8552-6. PMID 17580944 DOI: 10.1021/ja071174k  1
2007 Dubbeldam D, Walton KS, Ellis DE, Snurr RQ. Exceptional negative thermal expansion in isoreticular metal-organic frameworks Angewandte Chemie - International Edition. 46: 4496-4499. PMID 17487904 DOI: 10.1002/anie.200700218  1
2007 Düren T, Millange F, Férey G, Walton KS, Snurr RQ. Calculating geometric surface areas as a characterization tool for metal - Organic frameworks Journal of Physical Chemistry C. 111: 15350-15356. DOI: 10.1021/jp074723h  1
2007 Walton KS, Snurr RQ. Applicability of the BET method for determining surface areas of microporous metal-organic frameworks Journal of the American Chemical Society. 129: 8552-8556. DOI: 10.1021/ja071174k  1
2007 Dubbeldam D, Frost H, Walton KS, Snurr RQ. Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1 Fluid Phase Equilibria. 261: 152-161. DOI: 10.1016/j.fluid.2007.07.042  1
2007 Walton KS, Karra JR. The role of open metal sites in adsorption of polar and nonpolar molecules in Cu-Btc 2007 Aiche Annual Meeting 1
2006 Walton KS, LeVan MD. A novel adsorption cycle for CO2 recovery: Experimental and theoretical investigations of a temperature swing compression process Separation Science and Technology. 41: 485-500. DOI: 10.1080/01496390500524834  1
2006 Walton KS, Abney MB, LeVan MD. CO2 adsorption in y and X zeolites modified by alkali metal cation exchange Microporous and Mesoporous Materials. 91: 78-84. DOI: 10.1016/j.micromeso.2005.11.023  1
2006 Walton KS, LeVan MD. Natural gas storage cycles: Influence of nonisothermal effects and heavy alkanes Adsorption. 12: 227-235. DOI: 10.1007/s10450-006-0142-3  1
2006 Walton KS, Frost H, Snurr RQ. Applicability of the B.E.T method for obtaining surface areas in metal-organic frameworks Aiche Annual Meeting, Conference Proceedings 1
2006 Walton KS, Cavalcante CL, LeVan MD. Adsorption of light alkanes on coconut nanoporous activated carbon Brazilian Journal of Chemical Engineering. 23: 555-561.  1
2006 Matzger AJ, Walton KS, Dubbeldam D, Snurr RQ, Benin AI, Bedard RL, Low JJ, Willis RR. Carbon dioxide separation with novel microporous metal organic frameworks 2006 Afs Fall Topical Conference: Separations Processes For the Power Generation Industry 1
2005 Walton KS, LeVan MD. Effect of energy balance approximations on simulation of fixed-bed adsorption Industrial and Engineering Chemistry Research. 44: 7474-7480. DOI: 10.1021/ie050065g  1
2005 Walton KS, Levan MD. Development of energy balances for fixed-bed adsorption processes: Thermodynamic paths, heat capacities and isosteric heats Adsorption. 11: 555-559. DOI: 10.1007/s10450-005-5984-6  1
2005 Walton KS, Cavalcante CL, Levan MD. Adsorption equilibrium of alkanes on a high surface area activated carbon prepared from Brazilian coconut shells Adsorption. 11: 107-111. DOI: 10.1007/s10450-005-4901-3  1
2005 Walton KS, Abney MB, LeVan MD. Roles of steric and acid-base factors in CO2 adsorption in alkali-metal cation exchanged y and X zeolites Aiche Annual Meeting, Conference Proceedings. 1724.  1
2005 Walton KS, LeVan MD. Comparison of activated carbons for natural gas storage: Influence of nonisothermal effects and heavy alkanes Aiche Annual Meeting, Conference Proceedings. 2229.  1
2005 Walton KS, LeVan MD. Adsorbed-phase heat capacities: Thermodynamically consistent values determined from temperature-dependent equilibrium models Industrial and Engineering Chemistry Research. 44: 178-182.  1
2005 Walton KS, LeVan MD. Comparison of activated carbons for natural gas storage: Influence of nonisothermal effects and heavy alkanes Aiche Annual Meeting, Conference Proceedings. 2229.  1
2004 Walton KS, Pigorini G, LeVan MD. Simple group contribution theory for adsorption of alkanes in nanoporous carbons Chemical Engineering Science. 59: 4425-4432. DOI: 10.1016/j.ces.2004.07.005  1
2003 Walton KS, LeVan MD. Consistency of Energy and Material Balances for Bidisperse Particles in Fixed-Bed Adsorption and Related Applications Industrial and Engineering Chemistry Research. 42: 6938-6948.  1
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