ZENO   Efficient Method for Characterizing Object Shape and for Calculating Transport 

                                          Properties of Nanoparticles and Synthetic and Biological Macromolecule


             

 

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Principle Behind Calculation

Analytic Approximation

Summary of Important Properties

 

Dr. Marc L. Mansfield

(Stevens Institute of Technology)

 

Dr. Jack F. Douglas

(Polymer Division at NIST)

 

Protein Properties/Zeno:

PDB ID code (will be available soon)

contact: ekang1@stevens.edu

 

Acknowledgements: 

We thank CTCMS at NIST for funding support of this development 

 

 

  Home    Computation    References

[1] Joseph B. Hubbard and Jack F. Douglas, "Hydrodynamic friction of arbitrarily shaped Brownian particles," Phys. Rev. E 47, R2983-R2986 (1994) [PDF]

[2] Huan-Xiang Zhou, Attila Szabo, Jack F. Douglas, and Joseph B. Hubbard, "A Brownian dynamics algorithm for calculating the hydrodynamic friction and the electrostatic capacitance of an arbitrarily shaped object," J. Chem. Phy., Vol.100, 3821-3826 (1994) [PDF]

[3] Jack F. Douglas, Huan-Xiang Zhou, and Joseph B. Hubbard, "Hydrodynamic friction and the capacitance of arbitrarily shaped objects," Phys. Rev. E 49, 5319-5331 (1994) [PDF]

[4] Jack F. Douglas and Edward J. Garboczi, "Intrinsic viscosity and polarizability of particles having wide range of shapes," Advances in Chemical Physics 91, 85-153 (1995) [PDF]

[5] Mark L. Mansfield, Jack F. Douglas and Edward  J. Garboczi. "Intrinsic viscosity and electric polarizability of arbitrarily-shaped objects," Phys. Rev. E 64, 061601 (2001) [PDF]

[6] Mark L. Mansfield and Jack F. Douglas, "Numerical path-integration calculation of transport properties of star polymers and theta-DLA aggregates," Condensed Matter Physics, 5, 249 (2002) [PDF]

[7] Eun-Hee Kang, Mark L. Mansfield, and Jack F. Douglas, "Numerical path integration technique for the calculation of transport properties of proteins," Phys. Rev. E 69, 031918 (2004) [PDF]

[8] Jack F. Douglas and Friedman, "Coping with complex boundaries," IMA Series on Mathematics and its applications, 67, 166-185 (Springer, New York) (1995) [PDF]

[9] Jack F. Douglas and Friedman, "Competition between hydrodynamic screening ('draining') and excluded volume interactions in an polymer chain," Macromolecules, 27, 6088-6099 (1994) [PDF]

[10] Edward J. Garboczi and Jack F. Douglas, "Intrinsic conductivity of objects having arbitrary shape and conductivity," Phys. Rev. E 53, 6119-6180 (1996) [PDF] 

[11] Mark L. Mansfield and Jack F. Douglas, "Accuracy of several approximate formulas for the hydrodynamic radius and the diffusion coefficient," in preparation [PDF]

 

Last updated:  8/04/06

If you have any question about this web site, please contact to EunHee Kang