Search Results - "Balaji, Sayee Prasaad"

Calculating thermodynamic factors of ternary and multicomponent mixtures using the Permuted Widom test particle insertion method by Balaji, Sayee Prasaad, Schnell, Sondre K., Vlugt, Thijs J. H.

“…We present an approach to calculate thermodynamic factors for multicomponent liquid mixtures from molecular simulations by the Permuted Widom test particle…”
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A direct method for calculating thermodynamic factors for liquid mixtures using the Permuted Widom test particle insertion method by Balaji, Sayee Prasaad, Schnell, Sondre K., McGarrity, Erin S., Vlugt, Thijs J.H.

“…Understanding mass transport in liquids by mutual diffusion is an important topic for many applications in chemical engineering. The reason for this is that…”
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A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC by Torres-Knoop, Ariana, Balaji, Sayee Prasaad, Vlugt, Thijs J. H, Dubbeldam, David

“…Two state-of-the-art simulation methods for computing adsorption properties in porous materials like zeolites and metal–organic frameworks are compared: the…”
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Solubility of the Precombustion Gases CO2, CH4, CO, H2, N2, and H2S in the Ionic Liquid [bmim][Tf2N] from Monte Carlo Simulations by Ramdin, Mahinder, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Gutiérrez-Sevillano, Juan José, Calero, Sofía, de Loos, Theo W, Vlugt, Thijs J. H

“…Monte Carlo simulations were used to compute the solubility of the pure gases CO2, CH4, CO, H2, N2, and H2S in the ionic liquid (IL)…”
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Solubility of Natural Gas Species in Ionic Liquids and Commercial Solvents: Experiments and Monte Carlo Simulations by Ramdin, Mahinder, Balaji, Sayee Prasaad, Torres-Knoop, Ariana, Dubbeldam, David, de Loos, Theodoor Willem, Vlugt, Thijs J. H

“…A detailed comparison of the solubility of carbon dioxide (CO2) and methane (CH4) in ionic liquids (ILs) and in conventional solvents like Selexol, Purisol,…”
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Simulating the Reactions of CO2 in Aqueous Monoethanolamine Solution by Reaction Ensemble Monte Carlo Using the Continuous Fractional Component Method by Balaji, Sayee Prasaad, Gangarapu, Satesh, Ramdin, Mahinder, Torres-Knoop, Ariana, Zuilhof, Han, Goetheer, Earl L.V, Dubbeldam, David, Vlugt, Thijs J.H

“…Molecular simulations were used to compute the equilibrium concentrations of the different species in CO2/monoethanolamine solutions for different CO2…”
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Validation of the CO2/N2O Analogy Using Molecular Simulation by Chen, Qu, Balaji, Sayee Prasaad, Ramdin, Mahinder, Gutiérrez-Sevillano, Juan José, Bardow, André, Goetheer, Earl, Vlugt, Thijs J. H

“…CO2 readily reacts in aqueous amine solutions. The properties of free CO2 in amine solutions are therefore difficult to obtain directly and are often predicted…”
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Validation of the CO sub(2)/N sub(2)O Analogy Using Molecular Simulation by Chen, Qu, Balaji, Sayee Prasaad, Ramdin, Mahinder, Gutierrez-Sevillano, Juan Jose, Bardow, Andre, Goetheer, Earl, Vlugt, Thijs JH

“…CO sub(2) readily reacts in aqueous amine solutions. The properties of free CO sub(2) in amine solutions are therefore difficult to obtain directly and are…”
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Validation of the CO 2 /N 2 O Analogy Using Molecular Simulation by Chen, Qu, Balaji, Sayee Prasaad, Ramdin, Mahinder, Gutiérrez-Sevillano, Juan José, Bardow, André, Goetheer, Earl, Vlugt, Thijs J. H.

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Simulating the Reactions of CO 2 in Aqueous Monoethanolamine Solution by Reaction Ensemble Monte Carlo Using the Continuous Fractional Component Method by Balaji, Sayee Prasaad, Gangarapu, Satesh, Ramdin, Mahinder, Torres-Knoop, Ariana, Zuilhof, Han, Goetheer, Earl L.V., Dubbeldam, David, Vlugt, Thijs J.H.

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Solubility of the Precombustion Gases CO 2 , CH 4 , CO, H 2 , N 2 , and H 2 S in the Ionic Liquid [bmim][Tf 2 N] from Monte Carlo Simulations by Ramdin, Mahinder, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Gutiérrez-Sevillano, Juan José, Calero, Sofía, de Loos, Theo W., Vlugt, Thijs J. H.

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Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations by Ramdin, Mahinder, Chen, Qu, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Torres-Knoop, Ariana, Dubbeldam, David, Calero, Sofía, de Loos, Theo W., Vlugt, Thijs J.H.

“…•Monte Carlo simulations are used to compute the solubilities of methane, carbondioxide, ethane, and SO2 in ionic liquids and Selexol.•Excellent agreement with…”
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Computing bubble-points of CO2/CH4 gas mixtures in ionic liquids from Monte Carlo simulations by Ramdin, Mahinder, Balaji, Sayee Prasaad, Vicent-Luna, José Manuel, Torres-Knoop, Ariana, Chen, Qu, Dubbeldam, David, Calero, Sofía, de Loos, Theo W., Vlugt, Thijs J.H.

“…Computing bubble-points of multicomponent mixtures using Monte Carlo simulations is a non-trivial task. A new method is used to compute gas compositions from a…”
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