Book chapters

1.      “Solubility Measurements for CO2 and Methane Mixtures in Water and Aqueous Electrolyte Solutions Near Hydrate Conditions,” Ying Irene Zhang, Pallav Jain, Roger Chen, Douglas Elliot, Kyoo Song, Walter Chapman, Riki Kobayashi, and Heng-Joo Ng published in “Advances in the Study of Gas Hydrates,” Editors: Charles E. Taylor and Jonathan T. Kwan, Springer (2004).

2.      “Applications of the SAFT Equation of State to Asphaltene Precipitation under Pressure Depletion and Gas Injection,” P. David Ting, Doris Gonzalez, George Hirasaki, and Walter G. Chapman to be published in Asphaltenes, Heavy Oils and Petroleomics, Editors: OC Mullins, EY Sheu, A Hammami, and AG Marshall (2006).

Publications (In Reverse Chronological Order)

1.    Doris L. Gonzalez, Francisco M. Vargas, George J. Hirasaki and Walter G. Chapman. "Modeling Study of CO₂-Induced Asphaltene Precipitation". Energy and Fuels, 22,  757–762 (2008).

2.    Gaurav Bhatnagar, Walter G. Chapman, Gerald R. Dickens, Brandon Dugan, and George J. Hirasaki, "Sulfate-methane transition as a proxy for average methane hydrate saturation in marine sediments," Geophysical Research Letters, 35, L03611 (2008).

3.   Shekhar Jain, Aleksandra Dominik, and Walter G. Chapman, "Modified Interfacial SAFT:  A perturbation density functional theory for inhomogeneous complex fluids," J. Chem. Phys., 127, 244904 (2007).

4.    Adam Bymaster, Aleksandra Dominik, and Walter G. Chapman, "Hydration Structure and Interfacial Properties of Water Near a Hydrophobic Solute from a Fundamental Measure Density Functional Theory," J. Phys. Chem. C, 111, 15823-15831 (2007).

5.    Aleksandra Dominik, Shekhar Jain and Walter G. Chapman, "New equation of state for polymer solutions based on the statistical associating fluid theory (SAFT)-Dimer equation for hard-chain molecules," I&EC Research, 46, 5766-5774 (2007).

6.    Clint P. Aichele, Mark Flaum, Tianmin Jiang, George J. Hirasaki, and Walter G. Chapman, "Water in oil emulsion droplet size characterization using a pulsed field gradient with diffusion editing (PFG-DE) NMR technique," J. Colloid and Interfacial Science, 315, 607-619 (2007).

7.    Gaurav Bhatnagar, Walter G. Chapman, Gerald R. Dickens, Brandon Dugan, and George J. Hirasaki, "Generalization of gas hydrate distribution and saturation in marine sediments by scaling of thermodynamic and transport processes," Amer. J. Science, 307, 861-900 (2007).

8.    Doris L. Gonzalez, George J. Hirasaki, Jeff Creek, and Walter G. Chapman, "Modeling of Asphaltene Precipitation Due to Changes in Composition Using the Perturbed Chain Statistical Associating Fluid Theory Equation of State," Energy & Fuels, 21, 1231-1242 (2007).

9.    Aleksandra Dominik, Sandeep Tripathi and Walter G. Chapman, "Bulk and Interfacial Properties of Polymers from Interfacial SAFT Density Functional Theory," I&EC Research, 45, 6785-6792 (2006).

10.  Matt Yarrison, Kenneth R. Cox, and Walter G. Chapman, "Measurement and Modeling of the Solubility of Water in Supercritical Methane and Ethane from 310 to 477 K and Pressures from 3.4 to 110 MPa," I&EC Research., 45, 6770-6777 (2006). 

11.  Shuqiang Gao, Waylon House, and Walter G. Chapman, “Detecting gas hydrate behavior in crude oil using NMR, ”  J. Phys. Chem. B., 110, 6549-6552 (2006). 

12.  Aleksandra Dominik and Walter G. Chapman, “Thermodynamic model for branched polyolefins using the PC-SAFT equation of state,” Macromolecules, 38, 10836-10843 (2005).

13.  Piyush Srivastava, Walter G. Chapman, and Paul E. Laibinis, “Odd-even variations in the wettability of n-alkanethiolate monolayers on gold by water and hexadecane:  A molecular dynamics simulation study,” Langmuir, 21, 12171-12178 (2005). 

14.  Shuqiang Gao, Waylon House, and Walter G. Chapman, “NMR and Viscosity Investigation of Clathrate Hydrate Mechanisms,” I&EC Research, 44, 7373-7379 (2005). 

15.  Shuqiang Gao, Waylon House, and Walter G. Chapman, “NMR/MRI study of the water / clathrate hydrate interface,” J. Phys. Chem. B., 109, 19090-19093 (2005). 

16.  Aleksandra Dominik, Walter G. Chapman, Matthias Kleiner, and Gabriele Sadowski, “Modelling of polar systems with the PC-SAFT equation of state:  Investigation of the performance of two polar terms,” I&EC Research, 44, 6928-6938 (2005). 

17.  Sandeep Tripathi and Walter G. Chapman, “Microstructure and thermodynamics of inhomogeneous polymer blends and solutions,” Physical Review Letters, 94, 087801 (2005).

18.  Sandeep Tripathi and Walter G. Chapman, “Microstructure of inhomogeneous polyatomic mixtures from a density functional formalism for atomic mixtures,” J. Chem. Phys., 122, 94506 (2005).

19.  Aleksandra Dominik, Pallav Jain, and Walter G. Chapman, “Modified thermodynamic perturbation theory for fused-sphere dimer fuids,” Mol. Phys., 103, 1387-1394 (2005).

20.  Doris L. Gonzalez, P. David Ting, George J. Hirasaki, and Walter G. Chapman, “Prediction of Asphaltene Instability under Gas Injection with the SAFT Equation of State”, Energy & Fuels, 19, 1230-1234 (2005).

21.  Auleen Ghosh, Jorg Blaesing, Prasanna Jog, and Walter G. Chapman, "Perturbed Dipolar Chains: A Thermodynamic Model for Polar Copolymers,” Macromolecules, 38, 1025-1027 (2005).

22.  Matt Yarrison and Walter G. Chapman, "A systematic study of methanol + n-alkane vapor–liquid and liquid–liquid equilibria using the CK-SAFT and PC-SAFT equations of state,” Fluid Phase Equilibria, 226, 195-205 (2004).

23.  Auleen Ghosh, P. David Ting, and Walter G. Chapman, "Thermodynamic Stability Analysis and Pressure-Temperature Flash for Polydisperse Polymer Solutions,” I&EC Research, 43, 6222-6230 (2004).

24.  Kyoo Y. Song, Matt Yarrison, and Walter G. Chapman, “Experimental low temperature water content in gaseous methane, liquid ethane, and liquid propane in equilibrium with hydrate at cryogenic conditions,” Fluid Phase Equilibria, 224, 271-277 (2004).

25.  Walter G. Chapman Sharon G. Sauer, P. David Ting and Auleen Ghosh, "Phase Behavior Applications of SAFT based Equations of State – from Associating Fluids to Polydisperse, Polar Copolymers," Fluid Phase Equilibria, 217, 137-143 (2004).

26.  Sandeep Tripathi and Walter G. Chapman, "Density-functional theory for polar fluids at functionalized surfaces. I. Fluid wall association,” J. Chem. Phys. 119, 12611-12620 (2003).

27.  Sharon Sauer and Walter G. Chapman, "A Parametric Study of Dipolar Chain Theory with Applications to Ketone Mixtures," Ind. Eng. Chem. Res., 42, 5687-5696 (2003).

28.  Sandeep Tripathi and Walter G. Chapman, "An algorithm for calculating the chemical potential in associating and reacting fluids," Molecular Physics, 206, 267-286 (2003).

29.  Sandeep Tripathi and Walter G. Chapman, "Adsorption of associating fluids at active surfaces: a density functional theory," Cond. Matt. Phys., 6, 523-540 (2003).

30.  Sandeep Tripathi and Walter G. Chapman, "A density functional approach to chemical reaction equilibria in nanoscale systems," J. Chem. Phys., 118, 7993-8003 (2003).

31.  P. David Ting, George J. Hirasaki, and Walter G. Chapman, Modeling of Asphaltene Phase Behavior with the SAFT Equation of State, J. Pet. Sci. Tech., 21, 647-661 (2003).

32.  Auleen Ghosh, Walter G. Chapman, Ray N. French, “Gas solubility in hydrocarbons – a SAFT-based approach,” Fluid Phase Equilibria 209, 229-243 (2003).

33.  P. David Ting, Patrick C. Joyce, Prasanna K. Jog, Walter G. Chapman, and Mark C. Thies, "Phase Equilibrium Modeling of Long-Chain and Short-Chain n-Alkane Mixtures Using Peng-Robinson and SAFT." Fluid Phase Equilibria, 206, 267-286 (2003).

34.  Auleen Ghosh and Walter G. Chapman, SAFT Modeling of the Effect of Various Carriers on the Operating Range of Slurry Reactors, Ind. Eng. Chem. Res. 41, 5529-5533 (2002).

35.  Prasanna K. Jog, Walter G. Chapman, Sumnesh K. Gupta, and Robert D. Swindoll, “Modeling of Liquid-Liquid Phase Separation in Linear Low Density Polyethylene-Solvent Systems Using the SAFT Equation of State,” Ind. Eng. Chem. Res., 41, 887-891 (2002).

36.  Prasanna K. Jog and Walter G. Chapman, “An Algorithm for Calculation of Phase Equilibria in Polydisperse Polymer Solutions,” Macromolecules, 35, 1002-1011 (2002).

37.  Prasanna K. Jog, Sharon G. Sauer, Jorg Blaesing, and Walter G. Chapman, “Application of Dipolar Chain Theory to the Phase Behavior of Polar Fluids and Mixtures,” I&EC Research, 40, 4641-4648 (2001).

38.  Yurko Duda, Lloyd L. Lee, Yurij Kalyuzhnyi, Walter G. Chapman, and P. David Ting, “Structure and bridge functions of fused-sphere dimeric fluids,” Chem. Phys. Lett., 339, 89-95 (2001).

39.  Yurko Duda, Lloyd L. Lee, Yurij Kalyuzhnyi, Walter G. Chapman, and P. David Ting, “Structures of fused-dimer fluids:  A new closure based on the potential distribution theorems,” J. Chem. Phys., 114, 8484-8491 (2001)).

40.  Chad J. Segura, Jie Zhang and Walter G. Chapman, “Binary Associating Fluid Mixtures against a Hard Wall:  Density Functional Theory and Simulation,” Mol. Phys., 99, 1-12 (2001).

41.  Keshawa P. Shukla and Walter G. Chapman, “TPT2 and SAFTD Equations of State for Mixtures of Hard Chain Copolymers,” Mol. Phys., 98, 2045-2052 (2000).

42.  Prasanna K. Jog and Walter G. Chapman, “Application of Wertheim’s Thermodynamic Perturbation Theory to Dipolar Hard Sphere Chains,” Mol. Phys.97, 307-319 (1999).

43.  Prasanna K. Jog, Alejandro Garcia-Cuellar and Walter G. Chapman, “Extensions and Applications of the SAFT Equation of State to Solvents, Monomers, and Polymers,” Fluid Phase Equilibria, 158-160, 321-326 (1999).

44.  Alejandro Garcia-Cuellar and Walter G. Chapman, “Solvent Effects in Model Telechelic Polymers,” Mol. Phys., 96, 1063-1074 (1999).

45.  Yurko Duda, Chad J. Segura, Eduard V. Vakarin, M.F. Holovko, and Walter G. Chapman, “Network forming fluids:  Integral equations and Monte Carlo simulations,” J. Chem. Phys., 108, 9168-9176 (1998).

46.  Chad J. Segura, Eduard V. Vakarin, Walter G. Chapman, and M.F. Holovko, “A comparison of density functional and integral equation theories versus Monte Carlo simulations for hard sphere associating fluids near a hard wall,” J. Chem. Phys., 108, 4837-4848 (1998).

47.  Keshawa P. Shukla and Walter G. Chapman, "A Two Fluid Theory for Chain Fluid Mixtures from Thermodynamic Perturbation Theory," Mol. Phys., 93, 287-293 (1998).

48.  Keshawa P. Shukla and Walter G. Chapman, "SAFT Equation of State for Fluid Mixtures of Hard Chain Copolymers," Mol. Phys., 91, 1075-1081 (1997).

49.  Chad J. Segura, Walter G. Chapman, and Keshawa P. Shukla, "Associating Fluids with Four Bonding Sites Against a Hard Wall:  Density Functional Theory," Mol. Phys., 90, 759-771 (1997).

50.  Alejandro Garcia-Cuellar, Dhananjay Ghonasgi, and Walter G. Chapman, "Competition between Intermolecular and Intramolecular Association in Polyatomic Molecules:  Theory and Simulation," Fluid Phase Equilibria, 116, 275-281 (1996).

51.  L.L. Lee, L.-J. Lee, D. Ghonasgi, M. Llano-Restrepo, W.G. Chapman, K.P. Shukla, and E. Lomba, "Theory and Simulation for Electrolyte Solutions:  Applications to the Phase Equilibria of mixed solvent systems," Fluid Phase Equilibria, 116, 185-192 (1996).

52.  Lloyd L. Lee, Mario Llano-Restrepo, Walter G. Chapman, and Keshawa P. Shukla, "Improved MSA Theory for Concentrated Electrolyte Solutions Based on Monte Carlo Simulation at High Ionic Strengths," J. of The Chin. I. Ch. E., 27, 213-233 (1996).

53.  C. J. Segura and W.G. Chapman, "Associating Fluids with Four Bonding Sites against Solid Surfaces:  Monte Carlo Simulations," Mol. Phys., 86, 415‑442 (1995).

54.  C.A. Glandt and W.G. Chapman, "Effect of Water Dissolution on Oil Viscosity," SPE Reservoir Engineering, 10, 59‑64 (February 1995).

55.  D. Ghonasgi and W.G. Chapman, "Competition between Intermolecular and Intramolecular Association in Flexible Hard Chain Molecules," J. Chem. Phys., 102, 2585‑2592 (1995).

56.  M. Llano-Restrepo and W.G. Chapman, "Bridge Function and Cavity Correlation Function from Simulation:  Implications on Closure Relations," Inter. J. Thermophys., 16, 319‑326 (1995).

57.  D. Ghonasgi, V. Perez, and W.G. Chapman, "Prediction of the Thermodynamic Properties of Complex Polyatomic Hydrogen Bonding Fluids," Inter. J. Thermophys., 16, 715‑722 (1995).

58.  Yu. V. Kalyuzhnyi, G. Stell, M. Llano-Restrepo, W.G. Chapman, and M.F. Holovko, "Primitive Models of Chemical Association. I. Theory and Simulation for Dimerization," J. Chem. Phys., 101, 7939‑7952 (1994).

59.  D. Ghonasgi, V. Perez, and W.G. Chapman, "Intramolecular Association in Flexible Hard Chain Molecules," J. Chem. Phys., 101, 6880‑6887 (1994).

60.  D. Ghonasgi and W.G. Chapman, "Theory and Simulation for Associating Hard Chain Fluids," Molec. Phys., 83, 145‑158 (1994).

61.  M. Llano-Restrepo and W.G. Chapman, "Monte Carlo simulation of the structural properties of concentrated aqueous alkali halide solutions at 25symbol 176 \f "Symbol" C using a simple civilized model," J. Chem. Phys. 100, 8321‑8339 (1994).

62.  M. Llano-Restrepo and W.G. Chapman, "Bridge Function and Cavity Correlation Function for the Soft Sphere Fluid from Simulation:  Implications on Closure Relations," J. Chem. Phys., 100, 5139‑5148 (1994).

63.  D. Ghonasgi and W.G. Chapman, "A New Equation of State for Hard Chain Molecules," J. Chem. Phys. 100, 6633‑6639 (1994).

64.  D. Ghonasgi and W.G. Chapman, "Prediction of the Properties of Model Polymer Solutions and Blends," AIChE Journal, 40, 878‑887 (1994).

65.  D. Ghonasgi, M. Llano-Restrepo, and W.G. Chapman, "Henry's Law Constant for Diatomic and Polyatomic Lennard-Jones Molecules," J. Chem. Phys., 98, 5662‑5667 (1993).

66.  D. Ghonasgi and W.G. Chapman, "Theory and Simulation of Associating Chain Fluids," Molec. Phys., 80, 161‑176 (1993).

67.  P. Etesse, W.G. Chapman, and R. Kobayashi, "Nuclear Magnetic Resonance Measurement of Spin-lattice Relaxation and Self-diffusion in Supercritical CO2-n-hexadecane Mixtures," Molec. Phys., 80, 1145‑1164 (1993).

68.  D. Ghonasgi and W.G. Chapman, "Theory and Simulation for Associating Fluids with Four Bonding Sites," Molec. Phys., 79, 291‑311 (1993).

69.  M. LLano-Restrepo and W.G. Chapman, "Bridge Function and Cavity Correlation Function for the LJ Fluid from Simulation," J. Chem. Phys., 97, 2046‑2054 (1992).

70.  W.G. Chapman, "Prediction of the Thermodynamic Properties of Associating Lennard-Jones Fluids: Theory and Simulation," J. Chem. Phys., 93, 4299‑4304 (1990).

71.  W.G. Chapman, K.E. Gubbins, G. Jackson, and M. Radosz, "New Reference Equation of State for Associating Liquids," I&EC Research, 29, 1709‑1721 (1990).

72.  W.G. Chapman, K.E. Gubbins, G. Jackson, and M. Radosz, "SAFT:  Equation‑ of‑State Solution Model for Associating Fluids," Fluid Phase Equilibria, 52, 31‑38 (1989).

73.  G. Jackson, W.G. Chapman, and Keith E. Gubbins, "Phase Equilibria of Associating Fluids:  Chain Molecules with Multiple Bonding Sites," Proceedings of the International Symposium on Thermodynamics in Chemical Engineering and Industry, Beijing, China, June 1988.

74.  G. Jackson, W.G. Chapman, and Keith E. Gubbins, "Phase Equilibria of Associating Fluids of Spherical and Chain Molecules," Int. J. Thermophys., 9, 769‑779 (1988).

75.  Walter G. Chapman, George Jackson, and Keith E. Gubbins, "Phase equilibria of associating fluids ‑ Chain molecules with multiple bonding sites," Molec. Phys., 65, 1057‑1079, (1988).

76.  George Jackson, Walter G. Chapman, and Keith E. Gubbins, "Phase equilibria of associating fluids ‑ Spherical molecules with multiple bonding sites," Molec. Phys., 65, 1‑31, (1988).

77.  William R. Adams, John A. Zollweg, William B. Streett, Walter G. Chapman, Paulette Clancy, "The Excess Enthalpy of a Mixture of Krypton and Xenon: Experiment and Theory," Fluid Phase Equilibria, 40, 247‑257, (1988).

78.  C.G. Joslin, C.G. Gray, W.G. Chapman, and K.E. Gubbins, "Theory and Simulation of Associating Liquid Mixtures II," Molec. Phys., 62, 843‑860, (1987).

79.  W.G. Chapman, K.E. Gubbins, C.G. Joslin, and C.G. Gray, "Mixtures of Polar and Associating Molecules," Pure & Appl. Chem., 59, 53‑60, (1987).

80.  P. Gopal, W.G. Chapman, J.A. Zollweg, P. Clancy, and W.B. Streett, "Excess Enthalpies of {xN2 + (1‑x)CO}(l) at 83.82 K: Experiment and Theory," J. Chem.  Thermodyn., 19, 527‑534, (1987).

81.  W.G. Chapman, K.E. Gubbins, C.G. Joslin, and C.G. Gray, "Theory and Simulation of Associating Liquid Mixtures," Fluid Phase Equilibria, 29, 337‑346, (1986).

82.  W. Chapman and N. Quirke, "Metropolis Monte Carlo Simulation of Fluids with Multiparticle Moves," Physica 131B, 34‑40, (1985).