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Research Output 1988 2016

  • 1437 Citations
  • 19 h-Index
  • 91 Article
  • 3 Review article
  • 2 Conference contribution
  • 1 Comment/debate
2016
25 Citations (Scopus)

Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study

Franco, L. F. M., Castier, M. & Economou, I., 28 Aug 2016, In : Journal of Chemical Physics. 145, 8, 084702.

Research output: Contribution to journalArticle

Calcium Carbonate
calcite
Molecular dynamics
diffusion coefficient
molecular dynamics
9 Citations (Scopus)

Computer simulation of biodiesel production by hydro-esterification

Machado, G. D., de Souza, T. L., Aranda, D. A. G., Pessoa, F. L. P., Castier, M., Cabral, V. F. & Cardozo-Filho, L., 1 May 2016, In : Chemical Engineering and Processing: Process Intensification. 103, p. 37-45 9 p.

Research output: Contribution to journalArticle

Biofuels
Esterification
Biodiesel
Computer simulation
Soybean oil
9 Citations (Scopus)

Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach

Mercier Franco, L. F., Castier, M. & Economou, I., 8 Nov 2016, In : Journal of Chemical Theory and Computation. 12, 11, p. 5247-5255 9 p.

Research output: Contribution to journalArticle

diffusion coefficient
fluids
sodium chlorides
liquids
calcite
10 Citations (Scopus)

Effect of side streams on supersonic gas separations

Castier, M., 1 Sep 2016, In : Journal of Natural Gas Science and Engineering. 35, p. 299-308 10 p.

Research output: Contribution to journalArticle

Nozzles
Gases
Separators
Equations of state
Thermodynamic properties
15 Citations (Scopus)

Experimental and DFT Approach on the Determination of Natural Gas Hydrate Equilibrium with the Use of Excess N2 and Choline Chloride Ionic Liquid as an Inhibitor

Tariq, M., Atilhan, M., Khraisheh, M., Othman, E., Castier, M., García, G., Aparicio, S. & Tohidi, B., 21 Apr 2016, In : Energy and Fuels. 30, 4, p. 2821-2832 12 p.

Research output: Contribution to journalArticle

Ionic Liquids
Gas hydrates
Choline
Hydrates
Ionic liquids
12 Citations (Scopus)

Extending an equation of state to confined fluids with basis on molecular simulations

Barbosa, G. D., Travalloni, L., Castier, M. & Tavares, F. W., 22 Oct 2016, In : Chemical Engineering Science. 153, p. 212-220 9 p.

Research output: Contribution to journalArticle

Molecular Simulation
Equations of state
Equation of State
Fluid
Fluids
3 Citations (Scopus)

Flash calculations with specified entropy and stagnation enthalpy

Castier, M., Kanes, R. & Vechot, L., 25 Jan 2016, In : Fluid Phase Equilibria. 408, p. 196-204 9 p.

Research output: Contribution to journalArticle

flash
Enthalpy
Entropy
enthalpy
entropy
7 Citations (Scopus)

Phase equilibrium with external fields: Application to confined fluids

Dawass, N., D'Lima, M. L., Economou, I. & Castier, M., 11 Aug 2016, In : Journal of Chemical and Engineering Data. 61, 8, p. 2873-2885 13 p.

Research output: Contribution to journalArticle

Phase equilibria
Fluids
Conservation
Gravitation
Specifications
8 Citations (Scopus)

Simulation of venting and leaks from pressure vessels

Kanes, R., Basha, A., Vechot, L. & Castier, M., 1 Mar 2016, In : Journal of Loss Prevention in the Process Industries. 40, p. 563-577 15 p.

Research output: Contribution to journalArticle

Pressure vessels
Thermodynamics
Homeless Youth
Hazardous Substances
Pressure
6 Citations (Scopus)

Volumetric properties of binary aqueous solutions of protic ionic liquids based on bis (2-hydroxyethyl) ammonium

Santos, D., Lourenço, É., Santos, M. F. C., Franceschi, E., Dariva, C., Barison, A., Zuber, A., Castier, M. & Mattedi, S., 1 Oct 2016, In : Journal of Molecular Liquids. 222, p. 867-872 6 p.

Research output: Contribution to journalArticle

Ionic Liquids
Ammonium Compounds
Ionic liquids
aqueous solutions
liquids
55 Citations (Scopus)

ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations

Krokidas, P., Castier, M., Moncho Escriva, S., Sredojevic, D. N., Brothers, E., Kwon, H. T., Jeong, H. K., Lee, J. S. & Economou, I., 5 May 2016, In : Journal of Physical Chemistry C. 120, 15, p. 8116-8124 9 p.

Research output: Contribution to journalArticle

Propane
data simulation
propylene
propane
field theory (physics)
2015

Heteroepitaxially-grown zeolitic imidazolate framework membranes with unprecedented propylene/propane separation performance

Kwon, H. T., Krokidas, P., Castier, M., Economou, I., Moncho Escriva, S., Sredojevic, D., Brothers, E. & Jeong, H. K., 2015, Separations Division 2015 - Core Programming Area at the 2015 AIChE Annual Meeting. AIChE, Vol. 2. p. 1003-1004 2 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Propane
Propylene
Membranes
41 Citations (Scopus)

Molecular Simulation Studies of the Diffusion of Methane, Ethane, Propane, and Propylene in ZIF-8

Krokidas, P., Castier, M., Moncho Escriva, S., Brothers, E. & Economou, I., 9 Nov 2015, In : Journal of Physical Chemistry C. 119, 48, p. 27028-27037 10 p.

Research output: Contribution to journalArticle

Propane
Ethane
Methane
propylene
propane
2 Citations (Scopus)

Thermodynamic properties of nonaqueous single salt solutions using the Q-electrolattice equation of state

Zuber, A., Checoni, R. F. & Castier, M., 1 Jul 2015, In : Brazilian Journal of Chemical Engineering. 32, 3, p. 637-646 10 p.

Research output: Contribution to journalArticle

Density of liquids
Equations of state
Thermodynamic properties
Salts
Ions
2014
10 Citations (Scopus)

An empirical equation for the dielectric constant in aqueous and nonaqueous electrolyte mixtures

Zuber, A., Cardozo-Filho, L., Cabral, V. F., Checoni, R. F. & Castier, M., 25 Aug 2014, In : Fluid Phase Equilibria. 376, p. 116-123 8 p.

Research output: Contribution to journalArticle

nonaqueous electrolytes
Electrolytes
Permittivity
electrolytes
permittivity
1 Citation (Scopus)

Fitting equation of state parameters in parallel computers

Castier, M., Checoni, R. F. & Zuber, A., 1 Oct 2014, In : Brazilian Journal of Chemical Engineering. 31, 4, p. 993-1002 10 p.

Research output: Contribution to journalArticle

Function evaluation
Equations of state
Thermodynamics
20 Citations (Scopus)
stability tests
Phase stability
flash
partitions
specifications
28 Citations (Scopus)

Modeling and simulation of supersonic gas separations

Castier, M., 2014, In : Journal of Natural Gas Science and Engineering. 18, p. 304-311 8 p.

Research output: Contribution to journalArticle

Thermodynamics
Computational fluid dynamics
Thermodynamic properties
Gases
Supersonic flow
7 Citations (Scopus)

Modeling of pool spreading of LNG on land

Basha, O., Olewski, T., Vechot, L., Castier, M. & Mannan, S., 2014, In : Journal of Loss Prevention in the Process Industries. 30, 1, p. 307-314 8 p.

Research output: Contribution to journalArticle

Liquefied natural gas
Thermodynamics
Hot Temperature
boiling
Boiling liquids
70 Citations (Scopus)

Phase equilibrium of fluids confined in porous media from an extended Peng-Robinson equation of state

Travalloni, L., Castier, M. & Tavares, F. W., 25 Jan 2014, In : Fluid Phase Equilibria. 362, p. 335-341 7 p.

Research output: Contribution to journalArticle

Equations of state
Phase equilibria
Porous materials
equations of state
Fluids
10 Citations (Scopus)

Thermodynamic properties of aqueous solutions of single and multiple salts using the Q-electrolattice equation of state

Zuber, A., Checoni, R. F. & Castier, M., 25 Jan 2014, In : Fluid Phase Equilibria. 362, p. 268-280 13 p.

Research output: Contribution to journalArticle

Equations of state
equations of state
Thermodynamic properties
thermodynamic properties
Salts
6 Citations (Scopus)

Vapor-liquid equilibrium data for carbon dioxide + (R, S)-1,2- Isopropylidene glycerol (solketal) + oleic acid systems at high pressure

Zanette, A. F., Ferreira-Pinto, L., Giufrida, W. M., Zuber, A., Feirhmann, A. C., Castier, M., Cardozo-Filho, L. & Cabral, V. F., 8 May 2014, In : Journal of Chemical and Engineering Data. 59, 5, p. 1494-1498 5 p.

Research output: Contribution to journalArticle

Oleic acid
Oleic Acid
Glycerol
Carbon Dioxide
Phase equilibria
2013
15 Citations (Scopus)

Biodiesel production by esterification of hydrolyzed soybean oil with ethanol in reactive distillation columns: Simulation studies

Machado, G. D., Pessoa, F. L. P., Castier, M., Aranda, D. A. G., Cabral, V. F. & Cardozo-Filho, L., 10 Jul 2013, In : Industrial and Engineering Chemistry Research. 52, 27, p. 9461-9469 9 p.

Research output: Contribution to journalArticle

Soybean oil
Soybean Oil
Biofuels
Distillation columns
Esterification
7 Citations (Scopus)

Experimental vapor-liquid equilibria for the systems {2-ethyl-1-hexanol + glycerol + CO2} and {2-methyl-2-propanol + glycerol + CO2}

Ferreira, M. O., Ferreira-Pinto, L., Souza, E. M. B. D., Castier, M., Voll, F. A. P., Cabral, V. F. & Cardozo-Filho, L., 12 Sep 2013, In : Journal of Chemical and Engineering Data. 58, 9, p. 2506-2512 7 p.

Research output: Contribution to journalArticle

2-Propanol
Propanol
Glycerol
Phase equilibria
Pressure measurement

Modelling of lng pool spreading on land with included vapour-liquid equilibrium and different boiling regimes

Basha, O., Liu, Y., Castier, M., Olewski, T., Vechot, L. & Mannan, S., 2013, In : Chemical Engineering Transactions. 31, p. 43-48 6 p.

Research output: Contribution to journalArticle

Phase equilibria
Boiling liquids
Heat transfer
Hazardous materials spills
Liquefied natural gas
9 Citations (Scopus)

Propriétés thermophysiques des solutions aqueuses de sels 1: 1 avec l'équation d'état de réseau pour électrolytes

Translated title of the contribution: Thermodynamic properties of 1: 1 salt aqueous solutions with the electrolattice equation of stateZuber, A., Checoni, R. F., Mathew, R., Santos, J. P. L., Tavares, F. W. & Castier, M., Mar 2013, In : Oil and Gas Science and Technology. 68, 2, p. 255-270 16 p.

Research output: Contribution to journalArticle

Equations of state
Thermodynamic properties
Salts
Composition effects
Ions
2012
2 Citations (Scopus)

Pure saturated gases with predicted negative fundamental derivative of gas dynamics

Castier, M. & Cabral, V. F., 25 Nov 2012, In : Fluid Phase Equilibria. 334, p. 128-136 9 p.

Research output: Contribution to journalArticle

Gas dynamics
gas dynamics
Gases
Derivatives
equations of state
10 Citations (Scopus)

Rigorous multiple utility targeting in heat exchanger networks

Castier, M., Jul 2012, In : Energy Conversion and Management. 59, p. 74-85 12 p.

Research output: Contribution to journalArticle

Heat exchangers
Temperature
Linearization
Personal computers
Specific heat
2011
18 Citations (Scopus)

Computer simulation of fatty acid esterification in reactive distillation columns

MacHado, G. D., Aranda, D. A. G., Castier, M., Cabral, V. F. & Cardozo-Filho, L., 7 Sep 2011, In : Industrial and Engineering Chemistry Research. 50, 17, p. 10176-10184 9 p.

Research output: Contribution to journalReview article

Biofuels
Distillation columns
Esterification
Biodiesel
Fatty acids

Saturation points of specified entropy

Castier, M., 15 Feb 2011, In : Fluid Phase Equilibria. 301, 1, p. 105-109 5 p.

Research output: Contribution to journalArticle

Carbon Dioxide
Carbon dioxide
Entropy
entropy
saturation
9 Citations (Scopus)

Simulation of carbon dioxide recovery from flue gases in aqueous 2-amino-2-methyl-1-propanol solutions

Al-Masabi, F. H. & Castier, M., Nov 2011, In : International Journal of Greenhouse Gas Control. 5, 6, p. 1478-1488 11 p.

Research output: Contribution to journalArticle

Propanol
Flue gases
Carbon dioxide
aqueous solution
carbon dioxide
25 Citations (Scopus)

Thermodynamic speed of sound in multiphase systems

Castier, M., 25 Jul 2011, In : Fluid Phase Equilibria. 306, 2, p. 204-211 8 p.

Research output: Contribution to journalArticle

Acoustic wave velocity
Thermodynamics
thermodynamics
acoustics
Derivatives
1 Citation (Scopus)

Vapor-liquid equilibrium calculations of aqueous and nonaqueous binary systems using the mattedi-tavares-castier equation of state

Santos, J. P. L., Tavares, F. W. & Castier, M., 5 Jan 2011, In : Industrial and Engineering Chemistry Research. 50, 1, p. 102-110 9 p.

Research output: Contribution to journalArticle

Equations of state
Phase equilibria
Phase behavior
Lattice theory
Hydrogen bonds
16 Citations (Scopus)

XSEOS: An evolving tool for teaching chemical engineering thermodynamics

Castier, M. & Amer, M. M., Apr 2011, In : Education for Chemical Engineers. 6, 2

Research output: Contribution to journalArticle

Chemical engineering
Teaching
Thermodynamics
engineering
Petroleum engineering
2010
1 Citation (Scopus)

A reliable procedure to predict salt precipitation in pure phases

Beltrão, P. S. O., Cardoso, M. J. E. M. & Castier, M., Jan 2010, In : Brazilian Journal of Chemical Engineering. 27, 1, p. 195-208 14 p.

Research output: Contribution to journalArticle

Phase stability
Gibbs free energy
Salts
Liquids
Phase behavior
84 Citations (Scopus)

Critical behavior of pure confined fluids from an extension of the van der Waals equation of state

Travalloni, L., Castier, M., Tavares, F. W. & Sandler, S. I., Dec 2010, In : Journal of Supercritical Fluids. 55, 2, p. 455-461 7 p.

Research output: Contribution to journalArticle

Equations of state
equations of state
Molecules
Fluids
fluids
15 Citations (Scopus)

Dynamic simulation of fluids in vessels via entropy maximization

Castier, M., 25 Jan 2010, In : Journal of Industrial and Engineering Chemistry. 16, 1, p. 122-129 8 p.

Research output: Contribution to journalArticle

Ordinary differential equations
Phase equilibria
Entropy
Fluids
Computer simulation
80 Citations (Scopus)

Thermodynamic modeling of confined fluids using an extension of the generalized van der Waals theory

Travalloni, L., Castier, M., Tavares, F. W. & Sandler, S. I., 15 May 2010, In : Chemical Engineering Science. 65, 10, p. 3088-3099 12 p.

Research output: Contribution to journalArticle

Van Der Waals
Thermodynamics
Fluid
Fluids
Modeling
5 Citations (Scopus)

Vapor-liquid equilibrium calculations for refrigerant mixtures with the Mattedi-Tavares-Castier EOS

Santos, J. P. L., Tavares, F. W. & Castier, M., Sep 2010, In : Fluid Phase Equilibria. 296, 2, p. 133-139 7 p.

Research output: Contribution to journalArticle

refrigerants
liquid-vapor equilibrium
Refrigerants
Phase equilibria
Molecules
2009
30 Citations (Scopus)

Solution of the isochoric-isoenergetic flash problem by direct entropy maximization

Castier, M., 15 Feb 2009, In : Fluid Phase Equilibria. 276, 1, p. 7-17 11 p.

Research output: Contribution to journalArticle

flash
Entropy
entropy
internal energy
Phase equilibria
2008
1 Citation (Scopus)

Automatic generation of matlab functions using mathematica and thermath

Macedo, R. S., Alfradique, M. F. & Castier, M., Jul 2008, In : Computing in Science and Engineering. 10, 4, p. 41-49 9 p., 4548203.

Research output: Contribution to journalArticle

Chemical industry
17 Citations (Scopus)

Differential-algebraic approach to dynamic simulations of flash drums with rigorous evaluation of physical properties

Lima, E. R. A., Castier, M. & Biscaia, E. C., 2008, In : Oil and Gas Science and Technology. 63, 5, p. 677-686 10 p.

Research output: Contribution to journalArticle

Differential equations
Physical properties
Computer simulation
Energy balance
Equations of state
12 Citations (Scopus)

XSEOS: An open software for chemical engineering thermodynamics

Castier, M., Mar 2008, In : Chemical Engineering Education. 42, 2, p. 74-81 8 p.

Research output: Contribution to journalReview article

Educational Models
Chemical Engineering
chemical engineering
Chemical engineering
Thermodynamics
2007
4 Citations (Scopus)

Adsorption equilibrium of light hydrocarbon mixtures by Monte Carlo simulation

Tavares, F. W., Cabral, V. F. & Castier, M., Oct 2007, In : Brazilian Journal of Chemical Engineering. 24, 4, p. 597-610 14 p.

Research output: Contribution to journalArticle

Hydrocarbons
Adsorption
Propane
Ethane
Methane
19 Citations (Scopus)

Calculation of phase equilibrium of natural gases with the Peng-Robinson and PC-SAFT equations of state

Alfradique, M. F. & Castier, M., Sep 2007, In : Oil and Gas Science and Technology. 62, 5, p. 707-714 8 p.

Research output: Contribution to journalArticle

Equations of state
Phase equilibria
Natural gas
Statistical mechanics
Gas industry
11 Citations (Scopus)

Computational quantum mechanics: An underutilized tool in thermodynamics

Sandler, S. I. & Castier, M., 2007, In : Pure and Applied Chemistry. 79, 8, p. 1345-1359 15 p.

Research output: Contribution to journalArticle

Quantum theory
Solvation
Thermodynamics
Molecules
24 Citations (Scopus)

Critical points of hydrocarbon mixtures with the Peng-Robinson, SAFT, and PC-SAFT equations of state

Alfradique, M. F. & Castier, M., 15 Aug 2007, In : Fluid Phase Equilibria. 257, 1, p. 78-101 24 p.

Research output: Contribution to journalArticle

Hydrocarbons
Equations of state
critical point
equations of state
hydrocarbons
13 Citations (Scopus)

Dynamic simulation of flash drums using rigorous physical property calculations

Gonçalves, F. M., Castier, M. & Araújo, O. Q. F., Apr 2007, In : Brazilian Journal of Chemical Engineering. 24, 2, p. 277-286 10 p.

Research output: Contribution to journalArticle

Physical properties
Computer simulation
Phase boundaries
Equations of state
Algebra
2 Citations (Scopus)

Evaluation of mixing and combining rules for asymmetric Lennard-Jones chain mixtures: Effect of segment diameter, energy interaction, and chain length

Reis, R. A., Paredes, M. L. L., Castier, M. & Tavares, F. W., 1 Oct 2007, In : Fluid Phase Equilibria. 259, 1 SPEC. ISS., p. 123-134 12 p.

Research output: Contribution to journalArticle

Chain length
Thermodynamic properties
Compressibility
Equations of state
Fluids
12 Citations (Scopus)

Pinch analysis revisited: New rules for utility targeting

Castier, M., Jun 2007, In : Applied Thermal Engineering. 27, 8-9, p. 1653-1656 4 p.

Research output: Contribution to journalArticle

Heat exchangers
Thermodynamics
Costs
Temperature