NIST logo

Publications Portal

You searched on:
Author: daniel siderius
Sorted by: date

Displaying records 1 to 9.
Resort by: Date / Title

1. Perfluorohexane Adsorption in BCR-704 Faujasite Zeolite Benchmark Studies for the Seventh Industrial Fluid Properties Simulation Challenge
Published: 1/6/2014
Authors: Richard Ross, John K. Brennan, Kevin A Frankel, Jonathan D Moore, Raymond Dale Mountain, Joshua D Moore, Riaz Ahmad, Matthias Thommes, Vincent K Shen, Nathan E Schultz, Daniel W Siderius, Kenneth D Smith
Abstract: The primary goal of the seventh industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in zeolitic materials. The challenge focused, in particular, on ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914428

2. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores
Published: 10/25/2013
Authors: William P Krekelberg, Vincent K Shen, Daniel W Siderius, Thomas M. Truskett, Jeffrey R. Errington
Abstract: We investigate the structural and diffusive dynamics properties of a model fluid in highly-absorptive cylindrical pores. At subcritical temperatures, self diffusion displays three distinct regimes as a function of average pore density ρ: 1) a de ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914566

3. The Seventh Industrial Fluid Properties Simulation Challenge
Published: 10/8/2013
Authors: Riaz Ahmad, John K. Brennan, Kevin A Frankel, Jonathan D Moore, Joshua D Moore, Raymond Dale Mountain, Richard Ross, Vincent K Shen, Nathan E Schultz, Daniel W Siderius, Kenneth D Smith, Matthias Thommes
Abstract: The primary goal of the seventy industrial fluid properties simulation challenge was to test the ability of molecular simulation methods to predict the adsorption of organic adsorbates in zeolite materials. Zeoliet adsorbents are used in a variety o ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913980

4. Flexible Metal Organic Framework Compound, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]n, for CO2 Sorption Applications
Published: 4/7/2013
Authors: Winnie K Wong-Ng, Jeffrey T Culp, Yu Sheng Chen, Laura Espinal, Andrew John Allen, Daniel W Siderius, Craig M Brown, Wendy Queen, Peter Zavalij, Christopher Matranga
Abstract: New sorbent materials are required for carbon capture because coal-fired electrical power plants, the largest emitters of this greenhouse gas, will continue to produce much of our nation‰s electricity for at least several decades. Within the family o ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912660

5. Improved Synthesis and Crystal Structure of the Flexible Pillared Layer Porous Coordination Polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]
Published: 4/4/2013
Authors: Winnie K Wong-Ng, Jeffrey T Culp, Yu Sheng Chen, Peter Zavalij, Laura Espinal, Daniel W Siderius, Andrew John Allen, Steve Scheins, Christopher Matranga
Abstract: A new method of synthesis was developed for the flexible coordination polymer Ni(L)[Ni(CN)4], L=1,2-bis(4-pyridyl)ethylene (bpene) to increase its CO2 sorption uptake. The structure of the newly synthesized bpene has been determined by synchrotron X ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912264

6. Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials
Published: 2/21/2013
Authors: Daniel W Siderius, Vincent K Shen
Abstract: We present grand canonical transition-matrix Monte Carlo (GC-TMMC) as an efficient method for simulating gas adsorption processes, with particular emphasis on subcritical gas adsorption in which capillary phase transitions are present. As in other a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912491

7. Osmotic virial coefficients for model protein and colloidal solutions: Importance of ensemble constraints
Published: 5/3/2012
Authors: Daniel W Siderius, William P Krekelberg, Christopher J Roberts, Vincent K Shen
Abstract: Rayleigh light scattering is often used to quantify protein-protein interactions in solution via experimental measurement of the osmotic second virial coefficient (OSVC), but analysis of measurements from such experiments requires identification of a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909818

8. Time dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve
Published: 4/6/2012
Authors: Laura Espinal, Winnie K Wong-Ng, Andrew John Allen, Daniel W Siderius, Chad R Snyder, Eric J Cockayne, Lan (Lan) Li, James A. Kaduk, Anais E. Espinal, Steven L. Suib, Chun Chiu
Abstract: A critical challenge in the development of novel carbon capture materials with engineered porous architectures is to understand and control the phenomenon of sorption hysteresis, whereby the path to adsorption of gas molecules by the porous host diff ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909707

9. Extension of the Steele 10-4-3 Potential for Adsorption Calculations in Cylindrical, Spherical, and Other Pore Geometries
Published: 8/25/2011
Authors: Daniel W Siderius, Lev D Gelb
Abstract: In this Letter we reinterpret the widely-used Steele 10-4-3 potential for a gas molecule interacting with a planar surface, and derive analogous potentials for adsorption in cylindrical and spherical pores. These new potentials correctly recover the ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=908520



Search NIST-wide:


(Search abstract and keywords)


Last Name:
First Name:







Special Publications:

Looking for a NIST Special Publication (NIST SP Series)? Place the series number and dash in the report number field (Example: 800-) and begin your search.

  • SP 250-XX: Calibration Services
  • SP 260-XX: Standard Reference Materials
  • SP 300-XX: Precision Measurement and Calibration
  • SP 400-XX: Semiconductor Measurement Technology
  • SP 480-XX: Law Enforcement Technology
  • SP 500-XX: Computer Systems Technology
  • SP 700-XX: Industrial Measurement Series
  • SP 800-XX: Computer Security Series
  • SP 823-XX: Integrated Services Digital Network Series