Research Interests:
Research Interests:
... Presented below are only a few of the most recent models; they are not intended to be a completerepresentation of the different approaches reported ... vo (21) The phase equilibrium calculation is done by equating the chemical... more
... Presented below are only a few of the most recent models; they are not intended to be a completerepresentation of the different approaches reported ... vo (21) The phase equilibrium calculation is done by equating the chemical potential of S in the solid to that in the fluid phase. ...
Research Interests:
Research Interests:
... of the Associated Perturbed Anisotropic Chain Theory to Mixtures with More Than One Associating Component George D. Ikonomou and Marc D. Donohue ... similar to the one in the original derivation of APACT which was based, in part, on... more
... of the Associated Perturbed Anisotropic Chain Theory to Mixtures with More Than One Associating Component George D. Ikonomou and Marc D. Donohue ... similar to the one in the original derivation of APACT which was based, in part, on the work of Heidemann and Prausnitz ...
Research Interests:
Research Interests:
Research Interests:
Research Interests:
Research Interests:
Research Interests:
Page 1. 246 Ind. Eng. Chem. Fundam. 1985, 24, 246-257 Ng, S.; Harris, HG; Prausnitz, J. M. J . Chem. Eng. Data 1969, 14, 482. Nicolaides, GL Ph.D. Dissertation, University of Illinois, Urbana, IL. 1977. Null, HR "Phase... more
Page 1. 246 Ind. Eng. Chem. Fundam. 1985, 24, 246-257 Ng, S.; Harris, HG; Prausnitz, J. M. J . Chem. Eng. Data 1969, 14, 482. Nicolaides, GL Ph.D. Dissertation, University of Illinois, Urbana, IL. 1977. Null, HR "Phase Equilibrium in Process Design"; Wiley: New York, 1970. ...
Research Interests:
Page 1. Ind. Eng. Chem. Res. 1988,27, 1073-1084 1073 Greek Symbols /3 = (n - 1) x (n - 1) matrix of sorption derivatives { = transformed vector Superscript * = steady-state value Literature Cited Basco, DR Introduction to Computational... more
Page 1. Ind. Eng. Chem. Res. 1988,27, 1073-1084 1073 Greek Symbols /3 = (n - 1) x (n - 1) matrix of sorption derivatives { = transformed vector Superscript * = steady-state value Literature Cited Basco, DR Introduction to Computational Fluid Dynamics. ...
Research Interests:
Research Interests:
... VOL. 53. 1975 7. A. BONDI. Physical properties of molecular crystals, liquids and glasses. John Wiley and Sons, Inc., New York. 1968. ... 4 were first cal-culated by forcing agreement between ASC as found from eq. 4 and ASC as found... more
... VOL. 53. 1975 7. A. BONDI. Physical properties of molecular crystals, liquids and glasses. John Wiley and Sons, Inc., New York. 1968. ... 4 were first cal-culated by forcing agreement between ASC as found from eq. 4 and ASC as found from Lichten-thaler's equation (eq. 4 in ref. ...
Research Interests:
Research Interests:
Research Interests:
Research Interests:
... Printed in The NetherlandsCOMPACT: A SIMPLE EQUATION OF STATEFOR ASSOCIATED MOLECULESGeorge D. Ikonomou and Marc D. DonohueDepartment of ... This method was first applied topure components by Heidemann and Prausnitz (1976) who showed... more
... Printed in The NetherlandsCOMPACT: A SIMPLE EQUATION OF STATEFOR ASSOCIATED MOLECULESGeorge D. Ikonomou and Marc D. DonohueDepartment of ... This method was first applied topure components by Heidemann and Prausnitz (1976) who showed that it is ...
Research Interests:
Research Interests:
Research Interests:
Research Interests:
A density functional theory of diffusion is developed for lattice fluids with molecular flux as a functional of the density distribution. The formalism coincides exactly with the generalized Ono-Kondo density functional theory when there... more
A density functional theory of diffusion is developed for lattice fluids with molecular flux as a functional of the density distribution. The formalism coincides exactly with the generalized Ono-Kondo density functional theory when there is no gradient of chemical potential, i.e., at equilibrium. Away from equilibrium, it gives Fick's first law in the absence of a potential energy gradient, and it departs from Fickian behavior consistently with the Maxwell-Stefan formulation. The theory is applied to model a nanopore, predicting nonequilibrium phase transitions and the role of surface diffusion in the transport of capillary condensate.
Research Interests:
Page 1. J. Chem. Eng. Data 1985, 30, 259-263 259 (2) Sorensen, J. M.; Ark, W. "LiauM-Liquid Equilibrium Data Collection"; higher cyclohexane concentrations. Glossary excess enthalpy excess Gibbs free energy gas constant... more
Page 1. J. Chem. Eng. Data 1985, 30, 259-263 259 (2) Sorensen, J. M.; Ark, W. "LiauM-Liquid Equilibrium Data Collection"; higher cyclohexane concentrations. Glossary excess enthalpy excess Gibbs free energy gas constant ...
Research Interests:
Page 1. 240 Wardrop, A. B. Anatomical Aspects of Lignin Formation in Plants. The Eckman Days 1981. Int. Symp. Wood Pulp. Chem., Stock-holm, Sweden, 1981; Vol. 1, pp 44-51. Wend, H. F. J. Anatomy and Physical Properties of Wood. ...
Research Interests:
Research Interests:
Research Interests:
... Also, it predicts retrograde condensation where the boundary of phase stability becomes a multivalued function of concentration. In addition, predictions of the theory are compared with Monte Carlo simulation data. ... D. Retrograde... more
... Also, it predicts retrograde condensation where the boundary of phase stability becomes a multivalued function of concentration. In addition, predictions of the theory are compared with Monte Carlo simulation data. ... D. Retrograde condensation. ...
Research Interests:
Research Interests:
Research Interests:
Page 1. Ind. Eng. Chem. Res. 1988, 27, 1737-1743 1737 An Equation of State for Electrolyte Solutions. 2. Single Volatile Weak Electrolytes in Water Gang Jin and Marc D. Donohue* Department of Chemical Engineering, The ...
Research Interests:
A detailed comparison is made of several local-composition lattice models. The models considered include several popular activity coefficient models: the Wilson equation, Guggenheim's quasi-chemical theory (GQC), the nonrandom... more
A detailed comparison is made of several local-composition lattice models. The models considered include several popular activity coefficient models: the Wilson equation, Guggenheim's quasi-chemical theory (GQC), the nonrandom two-liquid theory (NRTL), ...
Research Interests:
Research Interests:
Research Interests:
Research Interests:
Research Interests:
Hard-sphere fluid structure is shown to be important in describing the thermodynamic properties of the square-well fluid. A simple local composition model using the exponential approximation (EXP) of Anderson and Chandler (1972) for the... more
Hard-sphere fluid structure is shown to be important in describing the thermodynamic properties of the square-well fluid. A simple local composition model using the exponential approximation (EXP) of Anderson and Chandler (1972) for the pair correlation function is developed. ...
Research Interests:
Research Interests:
Page 1. J. Phys. Chem. 1989, 93, 4355-4360 4355 Comparison of Equations of State for Chain Molecules P. Vimalchand and Marc D. Donohue* Department of Chemical Engineering, The Johns Hopkins University, Baltimore ...
Page 1. 394 Ind. Eng. Chem. Process Des. Dev. 1986, 25, 394-402 2. In the case of a < 0 (a decreasing linear distribution function), depending on the value of pB, a should satisfy either of the following two constraints.... more
Page 1. 394 Ind. Eng. Chem. Process Des. Dev. 1986, 25, 394-402 2. In the case of a < 0 (a decreasing linear distribution function), depending on the value of pB, a should satisfy either of the following two constraints. (1) For ...
Research Interests:
Page 1. Ind. Eng. Chem. Fundam. 1985, 24, 241-246 241 Murray, J. D. J. FiuU Mech. 1965b, 22, 57. Peters, MH; Fan, L. S.; Sweeney, T. L. Chem. Eng. Sci. 1962, 37, 553. Staub. FW: Zuber. N.: Bllwaard. G. Nucl. Scl. Ena. 1967, 30. 279.... more
Page 1. Ind. Eng. Chem. Fundam. 1985, 24, 241-246 241 Murray, J. D. J. FiuU Mech. 1965b, 22, 57. Peters, MH; Fan, L. S.; Sweeney, T. L. Chem. Eng. Sci. 1962, 37, 553. Staub. FW: Zuber. N.: Bllwaard. G. Nucl. Scl. Ena. 1967, 30. 279. Zuber, N.; Staub, FW Int. ...
Research Interests:
Research Interests: Engineering, Thermodynamics, Monte Carlo Simulation, Kinetics, Quantum Mechanics, and 11 moreEquations of State, Industrial Engineering, Simulation, Models, CHEMICAL SCIENCES, Chemical Reaction, Reaction Kinetics, Industrial Chemistry/Chemical Engineering, Thermodynamic Properties, Equation of State, and Monte Carlo Method
Page 1. 11004 J, Phys. Chem. 1992, 96, 11004-11009 S. A., Ed.%; John Wiley and Sons: New York, 1975. Moleculur Theory; Plenum Press: New York, 1974. (78) Kamb. 8. Science 1965, 150, 205. (79) Ben-Naim, A. Wurer und Aqueous Solurions. ...
Research Interests:
Page 1. Thermodynamics of Lewis Acid-Base The associated perturbed-anisotropic-chain theory (APACT) has been applied to treat multicomponent mixtures, in which components exhibit Lewis acid-base interactions. Mixtures ...
Research Interests:
Page 1. Znd. Eng. Chem. Res. 1995,34, 4553-4561 4553 Equations of State for Mixtures of Square-Well Molecules: Perturbation and Local Composition Theories for Binary Mixtures of Equal-Sized Molecules Costas P. Bokist ...
Research Interests:
The equation of state for fluids made of square-well dimers of different bond lengths is studied. The pair correlation function for the hard dimer reference fluid was obtained from Monte Carlo simulations of hard dimers of two bond... more
The equation of state for fluids made of square-well dimers of different bond lengths is studied. The pair correlation function for the hard dimer reference fluid was obtained from Monte Carlo simulations of hard dimers of two bond lengths, and these results were used with a ...
Research Interests:
Research Interests:
Thermodynamic properties of hard‐chain molecules. [The Journal of Chemical Physics 98, 5023 (1993)]. Costas P. Bokis, Yuping Cui, Marc D. Donohue. Abstract. The density and molecular size dependence of the equation of ...
Research Interests:
... Yuping Cui and Marc D. Donohue' Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 Received April 28 ... single-bead solvent with coordination number z = 6. Also shown are results of... more
... Yuping Cui and Marc D. Donohue' Department of Chemical Engineering, The Johns Hopkins University, Baltimore, Maryland 21218 Received April 28 ... single-bead solvent with coordination number z = 6. Also shown are results of molecular dynamics simulations by Madden.14 ...