Air reactivity of petroleum cokes: Role of inaccessible porosity (2007)
Tran, K. N., Bhatia, S. K., Tomsett, A.
This paper presents a detailed study of the air reactivity of petroleum cokes measured at temperatures between 400 and 600 degrees C using a combination of characterization techniques and reactivity...
Anomalous transport in molecularly confined spaces (2007)
We develop a novel theory to predict the density dependence of the diffusivity of simple fluids in a molecularly sized nanopore with diffusely reflecting walls, incorporating nearest neighbor...
Kinetic study of the thermal degradation of high density polyethylene (2006)
The thermal degradation of high density polyethylene has been modelled by the random breakage of polymer bonds, using a set of population balance equations. A model was proposed in which the...
Transport of simple fluids in nanopores: Theory and simulation (2006)
A theory is discussed of single-component transport in nanopores, recently developed by Bhatia and coworkers. The theory considers the oscillatory motion of molecules between diffuse wall collisions,...
Optimization of slitlike carbon nanopores for storage of hythane fuel at ambient temperatures (2006)
Carbons with slitlike pores can serve as effective host materials for storage of hythane fuel, a bridge between the petrol combustion and hydrogen fuel cells. We have used grand canonical Monte Carlo...
Influence of adsorbate interaction on transport in confined spaces (2006)
This article provides a review of the recent theory of transport in nanopores developed in the author's laboratory. In particular the influence of fluid-solid interactions on the transport...
Kumar, A. V. A., Jobic, H., Bhatia, S. K.
Monte Carlo and molecular dynamics simulations and neutron scattering experiments are used to study the adsorption and diffusion of hydrogen and deuterium in zeolite Rho in the temperature range of...
Kurniawan, Y., Bhatia, S. K., Rudolph, V.
Knowledge of the adsorption behavior of coal-bed gases, mainly under supercritical high-pressure conditions, is important for optimum design of production processes to recover coal-bed methane and to...
Nicholson, T. M., Bhatia, S. K.
We investigate the interaction of ethylene and ethane with a Cu-tricarboxylate complex and show that at low loadings the lighter molecule has a higher binding energy as a result of an increased...
High-pressure adsorption of methane and carbon dioxide on coal (2006)
Adsorption isotherms of methane and carbon dioxide on two kinds of Australian coals have been measured at three temperatures up to pressures of 20 MPa. The adsorption behavior is described by three...
Adsorbate transport in nanopores (2005)
Bhatia, S. K., Jepps, O. G., Nicholson, D.
We present a tractable theory of transport of simple fluids in cylindrical nanopores, considering trajectories of molecules between diffuse wall collisions at low-density, and including viscous flow...
Jepps, O. G., Bhatia, S. K., Searles, D. J.
It is a common approximation in the modeling of adsorption in microporous carbons to treat the pores as slit pores, whose walls are considered to consist of an infinite number of graphitic layers. In...
Bhatia, S. K., Chen, H. B., Sholl, D. S.
We examine here the relative importance of different contributions to transport of light gases in single walled carbon nanotubes, using methane and hydrogen as examples. Transport coefficients at 298...
Diffusion of linear paraffins in nanoporous silica (2005)
The diffusion of hexane, heptane, octane, and decane in nanoporous MCM-41 silica at various temperatures is investigated by the zero-length-column method. The diffusion coefficients are derived by a...
Nguyen, T. X., Bhatia, S. K., Nicholson, D.
In this paper, we present the results of the prediction of the high-pressure adsorption equilibrium of supercritical. gases (Ar, N-2, CH4, and CO2) on various activated carbons (BPL, PCB, and Norit...
Characterization of activated carbon fibers using argon adsorption (2005)
In this paper, we present results of the internal structure (pore size and pore wall thickness distributions) of a series of activated carbon fibers with different degrees of burn-off, determined...
Heterogeneous model for gas transport in carbon molecular sieves (2005)
Ding, L. P., Yuan, Y. X., Farooq, S., Bhatia, S. K.
A dual resistance model with distribution of either barrier or pore diffusional activation energy is proposed in this work for gas transport in carbon molecular sieve (CMS) micropores. This is a...
Diffusion of n-decane in mesoporous MCM-41 silicas (2005)
We investigate here the diffusion of n-decane in nanoporous MCM-41 silicas with pore diameters between 3.0 and 4.3 nm, and at various temperatures and purge flow rates, by the Zero Length Column...
Quantum effect induced reverse kinetic molecular sieving in microporous materials (2005)
Kumar, A. V. A., Bhatia, S. K.
We report kinetic molecular sieving of hydrogen and deuterium in zeolite rho at low temperatures, using atomistic molecular dynamics simulations incorporating quantum effects via the Feynman-Hibbs...
Modeling molecular transport in slit pores (2004)
Jepps, O. G., Bhatia, S. K., Searles, D. J.
We examine the transport of methane in microporous carbon by performing equilibrium and nonequilibrium molecular dynamics simulations over a range of pore sizes, densities, and temperatures. We...
Study of hexane adsorption in nanoporous MCM-41 silica (2004)
Qiao, S. Z., Bhatia, S. K., Nicholson, D.
We study here the adsorption of hexane on nanoporous MCM-41 silica at 303, 313, and 323 K, for various pore diameters between 2.40 and 4.24 nm. Adsorption equilibria, measured thermogravimetrically,...
Bhatia, S. K., Tran, K., Nguyen, T. X., Nicholson, T.
We present new simulation results for the packing of single-center and three-center models of carbon dioxide at high pressure in carbon slit pores. The former shows a series of packing transitions...
In this paper, we propose a new nonlocal density functional theory characterization procedure, the finite wall thickness model, for nanoporous carbons, whereby heterogeneity of pore size and pore...
Method for determining the shear stress in cylindrical systems (2003)
We develop a method for determining the elements of the pressure tensor at a radius r in a cylindrically symmetric system, analogous to the so-called method of planes used in planar systems [B. D....
Variation of the crystalline structure of coal char during gasification (2003)
Feng, B., Bhatia, S. K., Barry, J. M. C.
The variation of the crystallite structure of several coal chars during gasification in air and carbon dioxide was studied by high-resolution transmission electron microscopy (HRTEM) and X-ray...
Wall mediated transport in confined spaces: Exact theory for low density (2003)
Jepps, O. G., Bhatia, S. K., Searles, D. J.
We present a theory for the transport of molecules adsorbed in slit and cylindrical nanopores at low density, considering the axial momentum gain of molecules oscillating between diffuse wall...
Molecular transport in nanopores (2003)
Simulation of the transport of methane in cylindrical silica mesopores have been performed using equilibrium and nonequilibrium molecular dynamics (NEMD) as well as dual control volume grand...
Hydrodynamic origin of diffusion in nanopores (2003)
We study the transport of a subcritical Lennard-Jones fluid in a cylindrical nanopore, using a combination of equilibrium and nonequilibrium as well as dual control volume grand canonical molecular...
Solubility of selected esters in supercritical carbon dioxide (2003)
The solubility of ethyl propionate, ethyl butyrate, and ethyl isovalerate in supercritical carbon dioxide was measured at temperature ranging from 308.15 to 333.15 K and pressure ranging from 85 to...
Dryout phenomena in a three-phase fixed-bed reactor (2003)
Cheng, Z. M., Anter, A. M., Fang, X. C., Xiao, Q., Yuan, W. K., Bhatia, S. K.
Understanding the mechanism of liquid-phase evaporation in a three-phase fixed-bed reactor is of practical importance, because the reaction heat is usually 7-10 times the vaporization heat of the...
Analysis of multicomponent adsorption kinetics on activated carbon (2003)
An integrated mathematical model for the kinetics of multicomponent adsorption on microporous carbon was developed. Transport in this bidisperse solid is represented by balance equations in the...
Effect of pore-network connectivity on multicomponent adsorption of large molecules (2003)
The effect of pore-network connectivity on binary liquid-phase adsorption equilibria using the ideal adsorbed solution theory (LAST) was studied. The liquid-phase binary adsorption experiments used...
Qiao, S. Z., Bhatia, S. K., Zhao, X. S.
MCM-41 periodic mesoporous silicates with a high degree of structural ordering are synthesized and used as model adsorbents to study the isotherm prediction of nitrogen adsorption. The nitrogen...
Variation of the pore structure of coal chars during gasification (2003)
The variation of the pore structure of several coal chars during gasification in air and carbon dioxide was studied by argon adsorption at 87 K and CO2 adsorption at 273 K. It is found that the...
Ding, L. P., Bhatia, S. K., Liu, F.
The kinetics of single component adsorption on activated carbon is investigated here using a heterogeneous vacancy solution theory (VST) of adsorption. The adsorption isotherm is developed to account...
Frankcombe, T. J., Bhatia, S. K., Smith, S. C.
Ab initio calculations have been performed to determine the energetics of oxygen atoms adsorbed onto graphene planes and the possible reaction path extracting carbon atorns in the form of carbon...
Nguyen, T. X., Bhatia, S. K., Nicholson, D.
An important feature of improving lattice gas models and classical isotherms is the incorporation of a pore size dependent capacity, which has hitherto been overlooked. In this paper, we develop a...
A simple percolation theory-based method for determination of the pore network connectivity using liquid phase adsorption isotherm data combined with a density functional theory (DFT)-based pore size...
Vacancy solution theory for binary adsorption equilibria in heterogeneous carbon (2002)
A heterogeneous modified vacancy solution model of adsorption developed is evaluated. The new model considers the adsorption process through a mass-action law and is thermodynamically consistent,...
A wavelet-based adaptive technique for adsorption problems involving steep gradients (2001)
Liu, Y., Cameron, I. T., Bhatia, S. K.
A general, fast wavelet-based adaptive collocation method is formulated for heat and mass transfer problems involving a steep moving profile of the dependent variable. The technique of grid...
Petrov-Galerkin methods are known to be versatile techniques for the solution of a wide variety of convection-dispersion transport problems, including those involving steep gradients. but have...
A modified pore-filling isotherm for liquid-phase adsorption in activated carbon (2001)
This article modifies the usual form of the Dubinin-Radushkevich pore-filling model for application to liquid-phase adsorption data, where large molecules are often involved. In such cases it is...
Selvam, P., Bhatia, S. K., Sonwane, C. G.
The discovery of periodic mesoporous MCM-41 and related molecular sieves has attracted significant attention from a fundamental as well as applied perspective. They possess well-defined...
The use of liquid phase adsorption isotherms for characterization of activated carbons (2001)
The characterization of three commercial activated carbons was carried out using the adsorption of various compounds in the aqueous phase. For this purpose the generalized adsorption isotherm was...
Characterization of activated carbons using liquid phase adsorption (2001)
A modification of the Dubinin-Radushkevich pore filling model by incorporation of the repulsive contribution to the pore potential, and of bulk non-ideality, is proposed in this paper for...
The vacancy solution theory of adsorption is re-formulated here through the mass-action law, and placed in a convenient framework permitting the development of thermodynamic ally consistent...
A generalised model for the prediction of single char particle gasification dynamics, accounting for multi-component mass transfer with chemical reaction, heat transfer, as well as structure...
Some efficient solution techniques for solving models of noncatalytic gas-solid and fluid-solid reactions are presented. These models include those with non-constant diffusivities for which the...
Numerical solution of hyperbolic models of transport in bidisperse solids (2000)
Abarzhi, I. I., Bhatia, S. K., Liu, F.
This article considers the numerical solution of generalized transport models for adsorption that include the presence of finite local relaxation times. Such models arise in adsorption problems where...
A modified discrete random pore model allowing for different initial surface reactivity (2000)
We investigate here a modification of the discrete random pore model [Bhatia SK, Vartak BJ, Carbon 1996;34:1383], by including an additional rate constant which takes into account the different...
Percolative fragmentation of char particles during gasification (2000)
Percolative fragmentation was confirmed to occur during gasification of three microporous coal chars. Indirect evidence obtained by the variation of electrical resistivity (ER) with conversion was...
The present paper proposes an approach to obtaining the activation energy distribution for chemisorption of oxygen onto carbon surfaces, while simultaneously allowing for the activation energy...
Characterization of pore size distributions of mesoporous materials from adsorption isotherms (2000)
In this article, a new hybrid model for estimating the pore size distribution of micro- and mesoporous materials is developed, and tested with the adsorption data of nitrogen, oxygen, and argon on...
Adsorption of flavour esters on granular activated carbon (2000)
This article reports on the liquid phase adsorption of flavour esters onto granular activated carbon. Ethyl propionate, ethyl butyrate, and ethyl isovalerate were used as adsorbates, and Filtrasorb...
Numerical solution of hyperbolic models of transport in bidisperse solids (2000)
Liu, F., Bhatia, S. K., Abarzhi, I. I.
This article considers the numerical solution of generalized transport models for adsorption that include the presence of finite local relaxation times. Such models arise in adsorption problems where...
A piecewise uniform fitted mesh method turns out to be sufficient for the solution of a surprisingly wide variety of singularly perturbed problems involving steep gradients. The technique is applied...
Adsorption in mesopores: A molecular-continuum model with application to MCM-41 (1998)
The classical model of surface layering followed by capillary condensation during adsorption in mesopores, is modified here by consideration of the adsorbate solid interaction potential. The new...
A model study of isolated well patterns / (1967)
A thesis submitted to the Faculty of Graduate Studies and Research in partial fulfillment of the requirements for the degree of Master of Science in Petroleum Engineering, Faculty of Engineering,...
Cardiovascular State of Newly Discovered Diabetic Women*
Weaver, J. A., Bhatia, S. K., Boyle, D., Hadden, D. R., Montgomery, D. A. D.
A cardiovascular study of a group of 90 newly diagnosed diabetic women aged 35 to 75 years was begun in 1965 and a repeat examination was carried out on the same patients in 1968. A high prevalence...
Glibenclamide Therapy in Diabetes Mellitus
Bhatia, S. K., Hadden, D. R., Montgomery, D. A. D., Weaver, J. A.
In an initial trial of glibenclamide in the treatment of maturity onset diabetes mellitus 28 patients were treated for up to one year and no toxic effects or side-effects were encountered. The...
Cardiovascular State of Newly Discovered Diabetic Women*
Weaver, J. A., Bhatia, S. K., Boyle, D., Hadden, D. R., Montgomery, D. A. D.
A cardiovascular study of a group of 90 newly diagnosed diabetic women aged 35 to 75 years was begun in 1965 and a repeat examination was carried out on the same patients in 1968. A high prevalence...
Glibenclamide Therapy in Diabetes Mellitus
Bhatia, S. K., Hadden, D. R., Montgomery, D. A. D., Weaver, J. A.
In an initial trial of glibenclamide in the treatment of maturity onset diabetes mellitus 28 patients were treated for up to one year and no toxic effects or side-effects were encountered. The...
Four interleukin-2 surface binding proteins detected in rat spleen cells.
Chopra, R K, Carroll, M P, May, W S, Bhatia, S K, Margolick, J B, Nagel, J E, ...
Four specific interleukin-2 (IL-2) surface binding proteins can be detected by covalent cross-linking of [125I]IL-2 to rat spleen cells that have been activated with various stimuli including...
Frankcombe, T. J., Bhatia, S. K., Smith, S. C.
Ab initio calculations have been performed to determine the energetics of oxygen atoms adsorbed onto graphene planes and the possible reaction path extracting carbon atoms in the form of carbon...
Kinetic study of the thermal degradation of high density polyethylene
The thermal degradation of high density polyethylene has been modelled by the random breakage of polymer bonds, using a set of population balance equations. A model was proposed in which the...
Characterization of heat-treated porous carbons using argon adsorption
The microstructural variation of Norit R1 Extra activated carbon, progressively heated at 1373 K, was explored in terms of pore size and pore wall thickness distributions, for various periods of...
Scattering and tangential momentum accommodation at a 2D adsorbate–solid interface
We calculate tangential momentum coefficients for the exchange of momentum between molecules in transport and the internal surface of a membrane pore, modelled as a simple atomic structure. We...
Diffusion of n-decane in mesoporous MCM-41 silicas
We investigate here the diffusion of n-decane in nanoporous MCM-41 silicas with pore diameters between 3.0 and 4.3 nm, and at various temperatures and purge flow rates, by the Zero Length Column...
Characterization of activated carbon fibers using argon adsorption
In this paper, we present results of the internal structure (pore size and pore wall thickness distributions) of a series of activated carbon fibers with different degrees of burn-off, determined...
Prediction of multilayer adsorption and capillary condensation phenomena in cylindrical mesopores
Qiao, S. Z., Bhatia, S. K., Zhao, X. S.
MCM-41 periodic mesoporous silicates with a high degree of structural ordering are synthesized and used as model adsorbents to study the isotherm prediction of nitrogen adsorption. The nitrogen...
Variation of the pore structure of coal chars during gasification
The variation of the pore structure of several coal chars during gasification in air and carbon dioxide was studied by argon adsorption at 87 K and CO2 adsorption at 273 K. It is found that the...
Solubility of selected esters in supercritical carbon dioxide
The solubility of ethyl propionate, ethyl butyrate, and ethyl isovalerate in supercritical carbon dioxide was measured at temperature ranging from 308.15 to 333.15 K and pressure ranging from 85 to...
On the validity of thermogravimetric determination of carbon gasification kinetics
Thermogravimetric analysis has been widely applied in kinetic studies of carbon gasification, with the associated temporal weight change profiles being used to extract kinetic information and to...
Structural ordering of coal char during heat treatment and its impact on reactivity
Feng, B., Bhatia, S. K., Barry, J. C.
The effect of heat treatment on the structure of an Australian semi-anthracite char was studied in detail in the 850–1150°C temperature range using XRD, HRTEM, and electrical resistivity...
Kinetics of adsorption on activated carbon: application of heterogeneous vacancy solution theory
Ding, L. P., Bhatia, S. K., Liu, F.
The kinetics of single component adsorption on activated carbon is investigated here using a heterogeneous vacancy solution theory (VST) of adsorption. The adsorption isotherm is developed to account...
A wavelet-based adaptive technique for adsorption problems involving steep gradients
Liu, Y., Cameron, I. T., Bhatia, S. K.
A general, fast wavelet-based adaptive collocation method is formulated for heat and mass transfer problems involving a steep moving profile of the dependent variable. The technique of grid...
Characterization of activated carbons using liquid phase adsorption
A modification of the Dubinin–Radushkevich pore filling model by incorporation of the repulsive contribution to the pore potential, and of bulk non-ideality, is proposed in this paper for...
A generalised model for the prediction of single char particle gasification dynamics, accounting for multi-component mass transfer with chemical reaction, heat transfer, as well as structure...
Application of heterogeneous vacancy solution theory to characterization of microporous solids
The vacancy solution theory of adsorption is re-formulated here through the mass-action law, and placed in a convenient framework permitting the development of thermodynamically consistent isotherms....
Some efficient solution techniques for solving models of noncatalytic gas–solid and fluid–solid reactions are presented. These models include those with non-constant diffusivities for which the...