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Daniel W. Siderius, Ph.D. - Publications

Affiliations: 
2002-2007 Chemical Engineering Purdue University, West Lafayette, IN, United States 
 2007-2009 Chemistry Washington University, Saint Louis, St. Louis, MO 
 2009- Chemical Sciences Division National Institute of Standards and Technology, Gaithersburg, MD, United States 
Area:
Chemical Engineering, Condensed Matter Physics, Physical Chemistry
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44 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
2024 Hatch HW, Siderius DW, Shen VK. Monte Carlo molecular simulations with FEASST version 0.25.1. The Journal of Chemical Physics. 161. PMID 39234968 DOI: 10.1063/5.0224283  0.786
2024 Siderius DW, Hatch HW, Shen VK. Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal-Organic Frameworks. The Journal of Physical Chemistry. B. PMID 38676704 DOI: 10.1021/acs.jpcb.4c00753  0.804
2023 Hatch HW, Siderius DW, Errington JR, Shen VK. Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations. The Journal of Physical Chemistry. B. 127: 3041-3051. PMID 36976615 DOI: 10.1021/acs.jpcb.3c00613  0.799
2022 Siderius DW, Hatch HW, Shen VK. Temperature Extrapolation of Henry's Law Constants and the Isosteric Heat of Adsorption. The Journal of Physical Chemistry. B. 126: 7999-8009. PMID 36170675 DOI: 10.1021/acs.jpcb.2c04583  0.783
2020 Rzepa C, Siderius DW, Hatch HW, Shen VK, Rangarajan S, Mittal J. Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 124. PMID 33643514 DOI: 10.1021/Acs.Jpcc.0C02671  0.8
2019 Sturluson A, Huynh MT, Kaija AR, Laird C, Yoon S, Hou F, Feng Z, Wilmer CE, Colón YJ, Chung YG, Siderius DW, Simon CM. The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation. Molecular Simulation. 45. PMID 31579352 DOI: 10.1080/08927022.2019.1648809  0.387
2019 Nguyen HGT, Horn JC, Bleakney M, Siderius DW, Espinal L. Understanding Material Characteristics through Signature Traits from Helium Pycnometry. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30698443 DOI: 10.1021/Acs.Langmuir.8B03731  0.709
2019 Wong-Ng W, Nguyen HG, Espinal L, Siderius DW, Kaduk JA. Powder X-ray structural studies and reference diffraction patterns for three forms of porous aluminum terephthalate, MIL-53(A1) Powder Diffraction. 34: 216-226. DOI: 10.1017/S0885715619000460  0.679
2019 Wong-Ng WK, Nguyen HGT, Espinal L, Siderius DW, Kaduk JA. Powder X-ray Reference Diffraction Patterns for Three Forms of Porous Aluminum Terephthalate, MIL- 53(Al) Powder Diffraction. 34. DOI: 10.1002/Https://Doi.Org/10.1017/S0885715619000460  0.659
2018 Moore JD, Mountain RD, Ross RB, Shen VK, Siderius DW, Smith KD. The Ninth Industrial Fluid Properties Simulation Challenge. Fluid Phase Equilibria. 476: 1-5. PMID 30983688 DOI: 10.1016/j.fluid.2018.04.001  0.727
2018 Shen VK, Siderius DW, Mahynski NA. Molecular simulation of capillary phase transitions in flexible porous materials. The Journal of Chemical Physics. 148: 124115. PMID 29604881 DOI: 10.1063/1.5022171  0.781
2017 Siderius DW, Krekelberg WP, Chiang WS, Shen VK, Liu Y. Quasi-Two-Dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29185779 DOI: 10.1021/Acs.Langmuir.7B03406  0.821
2017 Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 121: 16316-16327. PMID 29170685 DOI: 10.1021/Acs.Jpcc.7B04232  0.812
2017 Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Position-dependent dynamics explain pore-averaged diffusion in strongly attractive adsorptive systems}. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29125303 DOI: 10.1021/Acs.Langmuir.7B03401  0.787
2017 Siderius DW, Mahynski NA, Shen VK. Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques. Adsorption : Journal of the International Adsorption Society. 23: 593-602. PMID 28827896 DOI: 10.1007/S10450-017-9879-0  0.749
2016 Ross RB, Aeschliman DB, Ahmad R, Brennan JK, Brostrom ML, Frankel KA, Moore JD, Moore JD, Mountain RD, Poirier DM, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 13-41. PMID 27840543 DOI: 10.1177/0263617415619541  0.762
2016 Schultz NE, Ahmad R, Brennan JK, Frankel KA, Moore JD, Moore JD, Mountain RD, Ross RB, Thommes M, Shen VK, Siderius DW, Smith KD. The Eighth Industrial Fluids Properties Simulation Challenge. Adsorption Science & Technology : Interface Science For Advanced Materials & Technologies. 34: 3-12. PMID 27840542 DOI: 10.1177/0263617415619521  0.774
2016 Gor GY, Siderius DW, Shen VK, Bernstein N. Modulus-pressure equation for confined fluids. The Journal of Chemical Physics. 145: 164505. PMID 27802643 DOI: 10.1063/1.4965916  0.802
2015 Gor GY, Siderius DW, Rasmussen CJ, Krekelberg WP, Shen VK, Bernstein N. Relation between pore size and the compressibility of a confined fluid. The Journal of Chemical Physics. 143: 194506. PMID 26590541 DOI: 10.1063/1.4935430  0.796
2014 Shen VK, Siderius DW. Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods. The Journal of Chemical Physics. 140: 244106. PMID 24985617 DOI: 10.1063/1.4884124  0.773
2014 Ross RB, Brennan JK, Frankel KA, Moore JD, Mountain RD, Ahmad R, Thommes M, Shen VK, Schultz NE, Siderius DW, Smith KD. Perfluorohexane adsorption in BCR-704 Faujasite zeolite benchmark studies for the seventh industrial fluid properties simulation challenge Fluid Phase Equilibria. 366: 141-145. DOI: 10.1016/J.Fluid.2013.12.025  0.788
2014 Ross RB, Ahmad R, Brennan JK, Frankel KA, Moore JD, Mountain RD, Shen VK, Schultz NE, Siderius DW, Smith KD, Thommes M. The seventh industrial fluid properties simulation challenge Fluid Phase Equilibria. 366: 136-140. DOI: 10.1016/j.fluid.2013.09.062  0.742
2013 Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 14527-35. PMID 24160818 DOI: 10.1021/La4037327  0.799
2013 Wong-Ng W, Culp JT, Chen YS, Zavalij P, Espinal L, Siderius DW, Allen AJ, Scheins S, Matranga C. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4] Crystengcomm. 15: 4684-4693. DOI: 10.1039/C3Ce00017F  0.683
2013 Krekelberg WP, Siderius DW, Shen VK, Truskett TM, Errington JR. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores Langmuir. 29: 14527-14535. DOI: 10.1021/la4037327  0.793
2013 Siderius DW, Shen VK. Use of the grand canonical transition-matrix Monte Carlo method to model gas adsorption in porous materials Journal of Physical Chemistry C. 117: 5861-5872. DOI: 10.1021/Jp400480Q  0.767
2012 Siderius DW, Krekelberg WP, Roberts CJ, Shen VK. Osmotic virial coefficients for model protein and colloidal solutions: importance of ensemble constraints in the analysis of light scattering data. The Journal of Chemical Physics. 136: 175102. PMID 22583267 DOI: 10.1063/1.4709613  0.746
2012 Espinal L, Wong-Ng W, Kaduk JA, Allen AJ, Snyder CR, Chiu C, Siderius DW, Li L, Cockayne E, Espinal AE, Suib SL. Time-dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve. Journal of the American Chemical Society. 134: 7944-51. PMID 22482879 DOI: 10.1021/Ja3014133  0.739
2011 Siderius DW, Gelb LD. Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries. The Journal of Chemical Physics. 135: 084703. PMID 21895210 DOI: 10.1063/1.3626804  0.68
2011 Siderius DW, Corti DS. Extension of scaled particle theory to inhomogeneous hard particle fluids. IV. Cavity growth at any distance relative to a planar hard wall. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 83: 031126. PMID 21517473 DOI: 10.1103/Physreve.83.031126  0.66
2009 Siderius DW, Gelb LD. Thermodynamic and structural properties of finely discretized on-lattice hard-sphere fluids: Virial coefficients, free energies, and direct correlation functions. The Journal of Chemical Physics. 131: 084503. PMID 19725614 DOI: 10.1063/1.3207883  0.681
2009 Siderius DW, Corti DS. On the line tension of curved boundary layers. I. boundary thermodynamics. The Journal of Physical Chemistry. B. 113: 13849-59. PMID 19402690 DOI: 10.1021/Jp901451T  0.606
2009 Barnes BC, Siderius DW, Gelb LD. Structure, thermodynamics, and solubility in tetromino fluids. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 6702-16. PMID 19397254 DOI: 10.1021/La900196B  0.691
2009 Siderius DW, Gelb LD. Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 1296-9. PMID 19123796 DOI: 10.1021/La803666T  0.703
2008 Uline MJ, Siderius DW, Corti DS. On the generalized equipartition theorem in molecular dynamics ensembles and the microcanonical thermodynamics of small systems. The Journal of Chemical Physics. 128: 124301. PMID 18376913 DOI: 10.1063/1.2889939  0.763
2008 Siderius DW, Gelb LD. A high-resolution lattice model for adsorption: Weighted density functional theory for lattice fluids and application to adsorption in porous materials Aiche Annual Meeting, Conference Proceedings.  0.655
2008 Barnes BC, Siderius DW, Gelb LD. Monte Carlo simulations of tetrominoes: Structural and thermodynamic properties of a seven-component on-lattice fluid model Aiche Annual Meeting, Conference Proceedings.  0.647
2007 Siderius DW, Corti DS. On the use of multiple interpolation functions in scaled particle theory to improve the predictions of the properties of the hard-sphere fluid. The Journal of Chemical Physics. 127: 144502. PMID 17935404 DOI: 10.1063/1.2768967  0.677
2007 Siderius DW, Corti DS. Extension of scaled particle theory to inhomogeneous hard particle fluids. III. Entropic force exerted on a cavity that intersects a hard wall. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 011108. PMID 17358111 DOI: 10.1103/Physreve.75.011108  0.659
2006 Siderius DW, Corti DS. Thermodynamically consistent adaptation of scaled particle theory to an arbitrary hard-sphere equation of state Industrial and Engineering Chemistry Research. 45: 5489-5500. DOI: 10.1021/Ie051038T  0.685
2005 Siderius DW, Corti DS. Extension of scaled particle theory to inhomogeneous hard particle fluids. II. Theory and simulation of fluid structure surrounding a cavity that intersects a hard wall. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 036142. PMID 15903528 DOI: 10.1103/Physreve.71.036142  0.677
2005 Siderius DW, Corti DS. Extension of scaled particle theory to inhomogeneous hard particle fluids. I. Cavity growth at a hard wall. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 036141. PMID 15903527 DOI: 10.1103/Physreve.71.036141  0.647
2005 Siderius DW, Corti DS. Thermodynamically consistent adaptation of scaled particle theory to an arbitrary equation of state: Hard Sphere fluid properties and a new reference system for solvation theories Aiche Annual Meeting, Conference Proceedings. 765.  0.641
2005 Siderius DW, Corti DS. Investigation of the role of geometry and fluid structure in the description of depletion forces via scaled particle theory-based integral equations for hard sphere fluids Aiche Annual Meeting, Conference Proceedings. 131.  0.631
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