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Research Output 1988 2016

  • 1447 Citations
  • 19 h-Index
  • 91 Article
  • 3 Review article
  • 2 Conference contribution
  • 1 Comment/debate
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
13 Citations (Scopus)

A Monte Carlo simulation of the packing and segregation of spheres in cylinders

Abreu, C. R. A., Macias-Salinas, R., Tavares, F. W. & Castier, M., Dec 1999, In : Brazilian Journal of Chemical Engineering. 16, 4, p. 395-405 11 p.

Research output: Contribution to journalArticle

Void fraction
Packed beds
Monte Carlo methods
Direction compound
Monte Carlo simulation
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
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
5 Citations (Scopus)

A phase stability analysis of the combinatorial term of the UNIQUAC model

Abreu, C. R. A., Castier, M. & Tavares, F. W., Apr 1999, In : Chemical Engineering Science. 54, 7, p. 893-896 4 p.

Research output: Contribution to journalArticle

Phase stability
Stability Analysis
Term
Phase Transition
Phase transitions
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
2 Citations (Scopus)

A review of group contribution methods for the prediction of phase equilibria

Aznar, M., Mattedi, S., Tavares, F. W., Castier, M. & Telles, A. S., 1997, In : Latin American Applied Research. 27, 1-2, p. 1-24 24 p.

Research output: Contribution to journalReview article

Equations of state
Phase equilibria
Activity coefficients
Gibbs free energy
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
5 Citations (Scopus)

Automatic generation of procedures for the simulation of multistage separators using computer Algebra

Alfradique, M. F., Espósito, R. O. & Castier, M., 2002, In : Chemical Engineering Communications. 189, 5, p. 657-674 18 p.

Research output: Contribution to journalArticle

Phase stability
Separators
Algebra
Derivatives
Liquids
16 Citations (Scopus)

Automatic implementation of thermodynamic models for reliable parameter estimation using computer algebra

Dominguez, A., Tojo, J. & Castier, M., 15 Oct 2002, In : Computers and Chemical Engineering. 26, 10, p. 1473-1479 7 p.

Research output: Contribution to journalArticle

Parameter estimation
Algebra
Thermodynamics
Phase equilibria
Subroutines
41 Citations (Scopus)

Automatic implementation of thermodynamic models using computer algebra

Castier, M., 1 Nov 1999, In : Computers and Chemical Engineering. 23, 9, p. 1229-1245 17 p.

Research output: Contribution to journalArticle

Algebra
Thermodynamics
Gibbs free energy
Equations of state
Computer programming languages
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
2 Citations (Scopus)

Calculation of mixture critical diagrams using an equation of state based on the lattice fluid theory

Mattedi, S., Tavares, F. W. & Castier, M., Dec 2000, In : Brazilian Journal of Chemical Engineering. 17, 4, p. 771-783 13 p.

Research output: Contribution to journalArticle

Equations of state
Fluids
Ethane
Methane
Binary mixtures
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
2 Citations (Scopus)

Calculation of sedimentation equilibrium using a modified flash algorithm

Castier, M., Espósito, R. O., Tavares, F. W. & Peçanha, R. P., 21 Jun 2001, In : Chemical Engineering Science. 56, 12, p. 3771-3779 9 p.

Research output: Contribution to journalArticle

Sedimentation
Flash
Thermodynamics
Binary System
Equilibrium Distribution
75 Citations (Scopus)

Calculation of simultaneous chemical and phase equilibria in nonideal systems

Castier, M., Rasmussen, P. & Fredenslund, A., 1989, In : Chemical Engineering Science. 44, 2, p. 237-248 12 p.

Research output: Contribution to journalArticle

Phase Equilibria
Phase equilibria
Chemical reactions
Phase stability
Substitution reactions
29 Citations (Scopus)

Calculations of thermodynamic equilibrium in systems subject to gravitational fields

Espósito, R. O., Castier, M. & W. Tavares, F., Sep 2000, In : Chemical Engineering Science. 55, 17, p. 3495-3504 10 p.

Research output: Contribution to journalArticle

Thermodynamic Equilibrium
Gravitational Field
Thermodynamics
Potential energy
Phase equilibria
6 Citations (Scopus)

Centrifugation equilibrium for spheres and spherocylinders

Martins, L. S. F., Tavares, F. W., Peçanha, R. P. & Castier, M., 15 Jan 2005, In : Journal of Colloid and Interface Science. 281, 2, p. 360-367 8 p.

Research output: Contribution to journalArticle

Centrifugation
Equations of state
Fluids
Biotechnology
Buoyancy
7 Citations (Scopus)

Centrifugation equilibrium of natural gas

Castier, M. & Tavares, F. W., Jun 2005, In : Chemical Engineering Science. 60, 11, p. 2927-2935 9 p.

Research output: Contribution to journalArticle

Natural Gas
Centrifugation
Natural gas
Hermann Von Helmholtz
Equation of State
3 Citations (Scopus)

Closed vessel experiment modelling and ballistic parameter estimation of gun propellants for lifetime prediction

Rodrigues, R. L. B., Castier, M. & Peixoto, F. C., Oct 2006, In : Latin American Applied Research. 36, 4, p. 229-233 5 p.

Research output: Contribution to journalArticle

Propellants
Ballistics
Parameter estimation
Piezoelectric transducers
Maximum likelihood
2 Citations (Scopus)

Comparison of simulated annealing algorithms in the scheduling of multiproduct serial batch plants

Ahon, V. R., Tavares, F. W. & Castier, M., Jun 2000, In : Brazilian Journal of Chemical Engineering. 17, 2, p. 199-209 11 p.

Research output: Contribution to journalArticle

Simulated annealing
Scheduling
Statistics
Annealing
1 Citation (Scopus)

Competitive strategy in the scheduling of multiproduct batch processes with due-date penalties

Batista, R. C., Bontempo, J. V. & Castier, M., 1998, In : Latin American Applied Research. 28, 4, p. 251-256 6 p.

Research output: Contribution to journalArticle

Simulated annealing
Scheduling
Customer satisfaction
Marketing
Profitability
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
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
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
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
11 Citations (Scopus)

Critical point calculations for semi-continuous mixtures

Rochocz, G. L., Castier, M. & Sandler, S. I., Dec 1997, In : Fluid Phase Equilibria. 139, 1-2, p. 137-153 17 p.

Research output: Contribution to journalArticle

critical point
thermodynamics
Phase stability
Gas industry
Equations of state

Critical points of adsorbed phases using a 2D lattice gas equation of state

Alfradique, M. F., Ndiaye, P. M. & Castier, M., 5 Jun 2006, In : Fluid Phase Equilibria. 244, 1, p. 2-10 9 p.

Research output: Contribution to journalArticle

Equations of state of gases
critical point
equations of state
Phase behavior
Phase diagrams
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
23 Citations (Scopus)

Critical points with the Wong-Sandler mixing rule-I. Calculations with the Van der Waals equation of state

Castier, M. & Sandler, S. I., Oct 1997, In : Chemical Engineering Science. 52, 19, p. 3393-3399 7 p.

Research output: Contribution to journalArticle

Van Der Waals
Equations of state
Equation of State
Critical point
Phase Diagram
40 Citations (Scopus)

Critical points with the Wong-Sandler mixing rule - II. Calculations with a modified Peng-Robinson equation of state

Castier, M. & Sandler, S. I., Oct 1997, In : Chemical Engineering Science. 52, 20, p. 3579-3588 10 p.

Research output: Contribution to journalArticle

Equations of state
Equation of State
Critical point
Liquid
Locus
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
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
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
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
5 Citations (Scopus)

Effect of combining rules for cubic equations of state on the prediction of double retrograde vaporization

Alfradique, M. F. & Castier, M., Mar 2005, In : Fluid Phase Equilibria. 230, 1-2, p. 1-8 8 p.

Research output: Contribution to journalArticle

cubic equations
Methane
Vaporization
Equations of state
equations of state
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
12 Citations (Scopus)

Energy targeting in heat exchanger network synthesis using rigorous physical property calculations

Castier, M. & Queiroz, E. M., 20 Mar 2002, In : Industrial and Engineering Chemistry Research. 41, 6, p. 1511-1515 5 p.

Research output: Contribution to journalArticle

Linearization
targeting
Specific heat
Heat exchangers
Enthalpy
7 Citations (Scopus)

Equations of state for chainlike polar fluids: a comparison of reference terms

Mattedi, S., Tavares, F. W. & Castier, M., 15 Aug 1994, In : Fluid Phase Equilibria. 99, C, p. 87-103 17 p.

Research output: Contribution to journalArticle

Equations of state
equations of state
Fluids
fluids
liquid-vapor equilibrium

Erratum: Thermodynamic equilibrium of adsorbed phases (Fluid Phase Equilibria (2005) 233 (66-72) DOI: 10.1016/j.fluid.2005.04.013)

Cabral, V. F., Alfradique, M. F., Tavares, F. W. & Castier, M., 25 Oct 2005, In : Fluid Phase Equilibria. 237, 1-2, p. 227 1 p.

Research output: Contribution to journalComment/debate

Phase equilibria
Thermodynamics
Fluids
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
1 Citation (Scopus)

Evaluation of the thermodynamic models UNIQUAC and UNIFAC using artificial neural networks

Borges, L. C. & Castier, M., 1993, Proceedings of the International Joint Conference on Neural Networks. Publ by IEEE, Vol. 1. p. 999-1002 4 p.

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

Phase equilibria
Thermodynamics
Neural networks
Network layers
Neurons
16 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
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
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
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
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
3 Citations (Scopus)

Group contribution equation of state based on the lattice fluid theory

Mattedi, S., Tavares, F. W. & Castier, M., Sep 1996, In : Brazilian Journal of Chemical Engineering. 13, 3, p. 116-129 14 p.

Research output: Contribution to journalArticle

Equations of state
Alkanes
Paraffins
Fluids
Hydrocarbons
27 Citations (Scopus)

Group contribution equation of state based on the lattice fluid theory: Alkane-alkanol systems

Mattedi, S., Tavares, F. W. & Castier, M., 15 Jan 1998, In : Fluid Phase Equilibria. 142, 1-2, p. 33-54 22 p.

Research output: Contribution to journalArticle

Alkanes
Binary mixtures
Equations of state
Paraffins
alkanes
5 Citations (Scopus)

Group contribution lattice fluid equation of state: Application to polymer+solvent systems

Mattedi, S., Tavares, F. W. & Castier, M., Sep 1998, In : Brazilian Journal of Chemical Engineering. 15, 3, p. 313-319 7 p.

Research output: Contribution to journalArticle

Equations of state
Polymers
Fluids
Phase equilibria
Gases