Condensed Phase Ethanol Conversion to Higher Alcohols. Tyler L. Jordison, Carl T. Lira, and Dennis J. Miller
|
|
- Nathaniel Miles
- 5 years ago
- Views:
Transcription
1 Condensed Phase Ethanol Conversion to Higher Alcohols Tyler L. Jordison, Carl T. Lira, and Dennis J. Miller Department of Chemical Engineering and Materials Science Michigan State University Phone: (517) Supporting Information
2 Figure S1. Experimental ethanol vapor pressure from the Parr 300ml reactor. 1 A. Rationale for Choice of SR-Polar EOS The Peng-Robinson-Wong-Sandler (PRWS), predictive Soave-Redlich-Kwong (PSRK), and Schwartzentruber--Renon (SR-Polar) equations of state were chosen for initial model screening. These equations of state are known for accurate prediction of vapor pressures because they incorporate the acentric (ω) factor with the critical point (T c, P c ). 2 For the PRWS, three alpha functions were tested: the standard PR alpha, Boston-Mathias, and Schwartzentruber. The PRWS and PSRK equations of state had the lowest average error in prediction of vapor pressures (2.1%) of the three EOS (Table S1). However, the Schwartzentruber-Renon- (SR)-Polar EOS was chosen because it offers the advantage of a temperature dependent molar volume translation parameter, while still giving excellent agreement of ethanol vapor pressure with experimental data (Figure S2). The SR-Polar EOS is also recommended for highly non-ideal systems at high temperatures and pressures. This is needed since predictions of liquid phase density for pure components with an equation of state deviate from experimental data at the near critical region. 2
3 Figure S2. Experimental ethanol vapor pressure data compared with vapor pressures predicted by the Peng Robinson and SR Polar equations of state. 3 Table S1. Error in vapor pressure calculated by PRWS, PSRK, and SR-Polar equations of state. PRWS-α 1 denotes standard PR, PRWS-α 2 denotes Boston Mathias, and PRWS-α 3 denotes Schwartszentruber. 3 PRWS-α 1 PRWS-α 2 PRWS-α 3 PSRK SR-Polar Ethanol Butanol Hexanol Water Average Abs % error
4 B. Parameters for SR-Polar EOS and comparison with literature data Table S2. Binary parameters for the ethanol Guerbet system Binary ka,ij0 ka,ij1 ka,ij2 lij0 lij2 Abs. Avg. Err. % (T. range) Ref Ethanol/CO2* (304 K-453 K) 4-6 Ethanol/1-Butanol (323 K-403 K) 7 Ethanol/Water (298 K-473 K) 8,9 1-Butanol/CO (313 K-430 K) Butanol/Water (323 K-403 K) 7 13 Ethanol/CH4* (398 K-498 K) 14 Water/CO (383 K-523 K) * The ethanol/ch 4 and ethanol/co 2 binary parameters were adjusted to our experimental data. The avg. error % was 18% with fitted Aspen NIST data for ethanol/ch 4, but increased to 38% with parameter adjustment. The avg. error % was 6.5% with fitted Aspen NIST data for ethanol/co 2, but increased to 40% with parameter adjustment. Table S3. Volume translation constants are listed for alcohols, water, methane, and CO 2. The (*) indicates translation constant was fit to binary with ethanol and not pure component data. 3 Component c 0i (m 3 /kmol) c 1i (m 3 /kmol) c 2i (m 3 /kmol) Avg. Abs Error (%) Ethanol 7.00E E E Butanol 7.00E E E Hexanol 1.10E E Water 5.00E E Methane* -1.20E-01 CO2* -3.00E-02 Figure S3. Predicted phase equilibria for ethanol-ch 4 is shown with the regressed, temperature dependent ka EtOH- CH4 and with the ka EtOH-CH4 adjusted to fit our validation experiments. 13
5 3, 13 Figure S4. SR-Polar translated density predictions are compared with experimental data. C. Temperature Programmed Desorption Profiles for CO 2 and NH 3 Figure S5. TPD profiles are shown for NH 3 and CO 2. The dashed lines separate site strength zones (weak, medium, strong).
6 D. Reaction Equilibria Gas-phase equilibrium constants are shown in Table S4 for reactions taking place in the ethanol Guerbet system. The equilibrium constant for ethanol dehydrogenation is 0.08 at 230 o C, and the equilibrium constant for the Tischenko reaction is 830. Table S4. Gas phase enthalpies and free energies of formation (298 K) and equilibrium constants at 503 K 1 H o r G r (kj/mol) (kj/mol) Ke V Reaction (298K) (298K) (503K) Ethanol Acetaldehyde + H E-02 2 Ethanol 1-Butanol + H 2 O E+04 Ethanol + 1-Butanol 1-Hexanol +H 2 O E+04 2 Acetaldehyde Ethyl Acetate E+02 2 Ethanol Diethyl Ether + H 2 O E+00 2 Ethanol 3 CH 4 + CO E+26
7 E. Flow diagram for SR-Polar EOS Application to Batch Reactions Figure S6. Flowsheet for SR-Polar model application to reaction data.
8 F. Supplementary References (1) Yaws, C. L.: Yaws' Critical Property Data for Chemical Engineers and Chemists. Knovel, (2) Elliot, J. R.; Lira, C. T.: Introductory Chemical Engineering Thermodynamics; 2nd ed.; Prentice Hall: Upper Saddle River, NJ, (3) Inc, A. T.: Aspen Properties 8.2. Burlington, MA, (4) Knez, Z.; Skerget, M.; Ilic, L.; Luetge, C.: Vapor-liquid equilibrium of binary CO2-organic solvent systems (ethanol, tetrahydrofuran, ortho-xylene, meta-xylene, para-xylene). Journal of Supercritical Fluids 2008, 43, (5) Takishima, S.; Saiki, K.; Arai, K.; Saito, S. J.: Phase equilibria for the carbon dioxide-ethanol-water system. Chem. Eng. Jpn. 1986, 19, 48. (6) Zhu, H. G.; Tian, Y. L.; Chen, L.; Feng, J. J.; Fu, H. F.: Studies on vapor-liquid phase equilibria for SCF CO2+CH3OH and SCF CO2+C2H5OH systems. Chemical Journal of Chinese Universities-Chinese 2002, 23, (7) Kharin, S. E.; Perelygin, V. M.; Remizov, G. P. I.; Zaved., V. U.: Liquid-vapor Phase Equilibriums in Ethanol-n-butanol and Water - n-butanol systems. Khim. Khim. Tekhnol. 1969, 12, (8) Niesen, V.; Palavra, A.; Kidnay, A. J.; Yesavage, V. F.: An Apparatus for Vapor- Liquid-Equilbrium at Elevated-Temperatures and Pressures and Selected Results for the Water Ethanol and Methanol Ethanol Systems. Fluid Phase Equilibria 1986, 31, (9) Nikolskaya, A. V.; Khim., Z. F.: 1946, 20, 421. (10) Elizalde-Solis, O.; Galicia-Luna, L. A.; Camacho-Camacho, L. E.: High-pressure vapor-liquid equilibria for CO2 plus alkanol systems and densities of n-dodecane and n- tridecane. Fluid Phase Equilibria 2007, 259, (11) Silva-Oliver, G.; Galicia-Luna, L. A.: Vapor liquid equilibria near critical point and critical points for the CO2+1-butanol and CO2+2-butanol systems at temperatures from 324 to 432 K. Fluid Phase Equilibria 2001, 182, (12) Yun, Z.; Shi, M.; Shi, J.: High Pressure Vapor-Liquid Phase Equilibrium for Carbon Dioxide-n-butanol and Carbon Dioxide-i-Butanol. Ranliao Huaxue Xuebao 1996, 24(1), (13) Brunner, E.; Hultenschmidt, W.: Fluid Mixtures at High-Pressures.8. Isothermal Phase-Equilibria in the Binary - Mixtures - (Ethanol+Hydrogen or Methane or Ethane). Journal of Chemical Thermodynamics 1990, 22, (14) Takenouchi, S.; Kennedy, G. C.: The Binary System H2O-CO2 at High Temperatures and Pressures. Am. J. Sci. 1964, 262,
Generalized binary interaction parameters in the Wong Sandler mixing rules for mixtures containing n-alkanols and carbon dioxide
Fluid Phase Equilibria 234 (2005) 136 143 Generalized binary interaction parameters in the Wong Sandler mixing rules for mixtures containing n-alkanols and carbon dioxide José O. Valderrama a,b,, Jack
More informationMODELING OF PHASE EQUILIBRIA FOR BINARY AND TERNARY MIXTURES OF CARBON DIOXIDE, HYDROGEN AND METHANOL
MODELING OF PHASE EQUILIBRIA FOR BINARY AND TERNARY MIXTURES OF CARBON DIOXIDE, HYDROGEN AND METHANOL Neil R. Foster *, Keivan Bezanehtak, Fariba Dehghani School of Chemical Engineering and Industrial
More informationThermophysical Properties of Ethane from Cubic Equations of State
Thermophysical Properties of Ethane from Cubic Equations of State MIHAELA NOUR, DANIELA DUNA, MIRELA IONITA, VIOREL FEROIU *, DAN GEANA Politehnica University Bucharest, Department of Inorganic Chemistry,
More informationModeling Vapor Liquid Equilibrium of Binary and Ternary Systems of CO 2 + Hydrocarbons at High-Pressure Conditions
A publication of CHEMICAL ENGINEERING TRANSACTIONS VOL. 57, 2017 Guest Editors: Sauro Pierucci, Jiří Jaromír Klemeš, Laura Piazza, Serafim Bakalis Copyright 2017, AIDIC Servizi S.r.l. ISBN 978-88-95608-48-8;
More informationPHASE EQUILIBRIUM CALCULATIONS OF HIGHLY POLAR SYSTEMS
Fluid Phase Equilibria Journal Volume 32, Pages 139-149, 1987 139 PHASE EQUILIBRIUM CALCULATIONS OF HIGHLY POLAR SYSTEMS El-HOUARI BENMEKKI and G.ALI MANSOORI* Department of Chemical Engineering, University
More informationREV. CHIM. (Bucureºti) 58 Nr
1069 High-Pressure Vapour-Liquid Equilibria of Carbon Dioxide + 1-Pentanol System Experimental Measurements and Modelling CATINCA SECUIANU*, VIOREL FEROIU, DAN GEANÃ Politehnica University Bucharest, Department
More informationThermodynamic Properties of Refrigerant R116 from Cubic Equations of State
Thermodynamic Properties of Refrigerant R116 from Cubic Equations of State DANIELA DUNA, MIRELA IONITA, VIOREL FEROIU *, DAN GEANA Politehnica University Bucharest, Department of Applied Physical Chemistry
More informationVapor liquid equilibrium of carbon dioxide with ethyl caproate, ethyl caprylate and ethyl caprate at elevated pressures
J. of Supercritical Fluids 28 (2004) 1 9 Vapor liquid equilibrium of carbon dioxide with ethyl caproate, ethyl caprylate and ethyl caprate at elevated pressures Weng-Hong Hwu, Jaw-Shin Cheng, Kong-Wei
More informationCALCULATION OF THE COMPRESSIBILITY FACTOR AND FUGACITY IN OIL-GAS SYSTEMS USING CUBIC EQUATIONS OF STATE
CALCULATION OF THE COMPRESSIBILITY FACTOR AND FUGACITY IN OIL-GAS SYSTEMS USING CUBIC EQUATIONS OF STATE V. P. de MATOS MARTINS 1, A. M. BARBOSA NETO 1, A. C. BANNWART 1 1 University of Campinas, Mechanical
More informationModelling the Solubility of Solid Aromatic Compounds in Supercritical Fluids
Modelling the Solubility of Solid Aromatic Compounds in Supercritical Fluids VIOREL FEROIU*, OCTAVIAN PARTENIE, DAN GEANA Politehnica University of Bucharest, Department of Applied Physical Chemistry and
More informationVapor liquid equilibria of carbon dioxide with ethyl benzoate, diethyl succinate and isoamyl acetate binary mixtures at elevated pressures
Journal of Supercritical Fluids 21 (2001) 111 121 wwwelseviercom/locate/supflu Vapor liquid equilibria of carbon dioxide with ethyl benzoate, diethyl succinate and isoamyl acetate binary mixtures at elevated
More informationHomework 01. Phase Changes and Solutions
HW01 - Phase Changes and Solu!ons! This is a preview of the published version of the quiz Started: Jan 16 at 1:pm Quiz Instruc!ons Homework 01 Phase Changes and Solutions Question 1 Given that you have
More informationCooling Temperatures of Binary Mixed Refrigerants: Vapor-Liquid-Liquid Equilibrium versus Vapor-Liquid Equilibrium
1 Cooling Temperatures of Binary Mixed Refrigerants: Vapor-Liquid-Liquid Equilibrium versus Vapor-Liquid Equilibrium N. Tzabar, H.J.M. ter Brake Energy Materials and Systems Faculty of Science and Technology
More informationCh 12 and 13 Practice Problems
Ch 12 and 13 Practice Problems The following problems are intended to provide you with additional practice in preparing for the exam. Questions come from the textbook, previous quizzes, previous exams,
More informationVapor liquid equilibria of carbon dioxide with diethyl oxalate, ethyl laurate, and dibutyl phthalate binary mixtures at elevated pressures
Fluid Phase Equilibria 181 (2001) 1 16 Vapor liquid equilibria of carbon dioxide with diethyl oxalate, ethyl laurate, and dibutyl phthalate binary mixtures at elevated pressures Kong-Wei Cheng, Muoi Tang
More informationSOFTWARE INTELIGENT PACKAGE FOR PHASE EQULIBRIA (PHEQ) IN SYSTEMS APPLIED IN CHEMISTRY AND CHEMICAL ENGINEERING
SOFTWARE INTELIGENT PACKAGE FOR PHASE EQULIBRIA (PHEQ) IN SYSTEMS APPLIED IN CHEMISTRY AND CHEMICAL ENGINEERING Prof. Dr. Dan GEANĂ University Politechnica Bucharest Abstract The importance and role of
More informationChemical and Engineering Thermodynamics
Chemical and Engineering Thermodynamics Third Edition Stanley I. Sandler University of Delaware John Wiley & Sons, Inc. New York Chichester Weinheim Brisbane Singapore Toronto Contents NOTATION xv CHAPTER1
More informationWhen using a chemical process simulator, the most
Computational Methods Understand Thermodynamics to Improve Process Simulations David Hill Fred C. Justice, P.E. Chemstations, Inc. Selecting a thermodynamic model is an important step in process simulation
More informationVapour Liquid Equilibrium in Asymmetric Mixtures of n-alkanes with Ethane
Turk J Chem 26 (22), 481 489. c TÜBİTAK Vapour Liquid Equilibrium in Asymmetric Mixtures of n-alkanes with Ethane Anca DUTA Transylvania University, Chemistry Dept., I. Maniu 5, RO-22 Brasov-ROMANIA e-mail:
More informationABSTRACT NOMENCLATURE. Binary interaction coefficient of energy term between molecules j andn
Engineering Journal of Qatar University, Vol.6, 1993, p.29-43 CORRELATON OF VAPOR-LQUD EQULBRUM DATA FOR BNARY MXTURES CONTANNG ONE POLAR COMPONENT BY THE PARAMETERS FROM GROUP CONTRBUTONS EQUATON OF STATE
More informationSolubility of solids in supercritical fluids using equations of state - excess Gibbs free energy models.
High Pressure Chemical Engineering Ph. Rudolf von Rohr and Ch. Trepp (Editors) 9 1996 Elsevier Science B.V. All rights reserved. 351 Solubility of solids in supercritical fluids using equations of state
More informationPeng-Robinson Equation of State Predictions for Gas Condensate Before and After Lumping
Advances in Petroleum Exploration and Development Vol. 2, No. 2, 2011, pp. 41-46 DOI:10.3968/ j.aped.1925543820110202.105 ISSN 1925-542X[Print] ISSN 1925-5438[Online] www.cscanada.net www.cscanada.org
More informationScienceDirect. Modelling CO 2 Water Thermodynamics Using SPUNG Equation of State (EoS) concept with Various Reference Fluids
Available online at www.sciencedirect.com ScienceDirect Energy Procedia 51 (2014 ) 353 362 7th Trondheim CCS Conference, TCCS-7, June 5-6 2013, Trondheim, Norway Modelling CO 2 Water Thermodynamics Using
More information"Energy Applications: Impact of Data and Models"
"Energy Applications: Impact of Data and Models" Energy Applications refers in this particular case to the wide application of equations of state upstream in the Production of Oil and Gas. The petroleum
More informationSupporting Information
Supporting Information The molecular clusters in a supercritical fluid-solid system should be considered as a phase thermodynamic principle and evidence Minqiang Hou, Jianling Zhang, Buxing Han,* Qingqing
More information2. What property of water allows a needle to float on it without sinking? Answer: surface tension
Ch 12 and 14 Practice Problems - KEY The following problems are intended to provide you with additional practice in preparing for the exam. Questions come from the textbook, previous quizzes, previous
More information= = 10.1 mol. Molar Enthalpies of Vaporization (at Boiling Point) Molar Enthalpy of Vaporization (kj/mol)
Ch 11 (Sections 11.1 11.5) Liquid Phase Volume and Density - Liquid and solid are condensed phases and their volumes are not simple to calculate. - This is different from gases, which have volumes that
More informationPrediction of phase equilibria in waterralcoholralkane systems
Fluid Phase Equilibria 158 160 1999 151 163 Prediction of phase equilibria in waterralcoholralkane systems Epaminondas C. Voutsas ), Iakovos V. Yakoumis, Dimitrios P. Tassios Laboratory of Thermodynamics
More informationVapor-liquid equilibria for the binary mixtures of methanol+ cyclopentyl methyl ether (CPME)
Korean J. Chem. Eng., 33(10), 2961-2967 (2016) DOI: 10.1007/s11814-016-0145-z INVITED REVIEW PAPER pissn: 0256-1115 eissn: 1975-7220 Vapor-liquid equilibria for the binary mixtures of methanol+ cyclopentyl
More informationUSE OF EQUATIONS OF STATE (EOS) SOFTWARE. Donald P. Mayeaux. President A+ Corporation, LLC Black Bayou Rd. Gonzales, LA USA
USE OF EQUATIONS OF STATE (EOS) SOFTWARE Donald P. Mayeaux President A+ Corporation, LLC 41041 Black Bayou Rd. Gonzales, LA USA Introduction Proper sample conditioning is essential to providing a representative
More informationA modification of Wong-Sandler mixing rule for the prediction of vapor-liquid equilibria in binary asymmetric systems
Korean J. Chem. Eng., 28(7), 16131618 (2011) DOI: 10.1007/s1181401005347 INVITED REVIEW PAPER A modification of WongSandler mixing rule for the prediction of vaporliquid equilibria in binary asymmetric
More informationPredictive Equation of State
Predictive Equation of State Vapor-liquid Equilibria, Gas Solubilities, Excess Enthalpies and Phase Flash Calculations PSRK Predictive Soave-Redlich-Kwong VTPR Volume-Translated Peng-Robinson DDBSP Dortmund
More informationAspen Dr. Ziad Abuelrub
Aspen Plus Lab Pharmaceutical Plant Design Aspen Dr. Ziad Abuelrub OUTLINE 1. Introduction 2. Getting Started 3. Thermodynamic Models & Physical Properties 4. Pressure Changers 5. Heat Exchangers 6. Flowsheet
More informationStatus and results of group contribution methods
Pure & Appl. Cbem., Vol. 65, No. 5, pp. 919926, 1993. Printed in Great Britain. @ 1993 IUPAC Status and results of group contribution methods J. Gmehling, K. Fischer, J. Li, M. Schiller Universitat Oldenburg,
More informationPreliminary Evaluation of the SPUNG Equation of State for Modelling the Thermodynamic Properties of CO 2 Water Mixtures
Available online at www.sciencedirect.com Energy Procedia 26 (2012 ) 90 97 2 nd Trondheim Gas Technology Conference Preliminary Evaluation of the SPUNG Equation of State for Modelling the Thermodynamic
More informationCohesion Factor Relations for Cubic Equations of State: Soave-Redlich-Kwong Equation of State
NIRMA UNIVERSITTY JOURNAL OF ENGINEERING AND TECHNOLOGY, VOL.1, NO.1, JAN-JUN 2010 1 Cohesion Factor Relations for Cubic Equations of State: Soave-Redlich-Kwong Equation of State M.H.Joshipura, S.P.Dabke
More informationDME(10 TPD) Process Simulation Using Aspen Plus Release Dr. Jungho Cho, Professor Department of Chemical Engineering Dong Yang University
DME(10 TPD) Process Simulation Using Aspen Plus Release 12.1 Dr. Jungho Cho, Professor Department of Chemical Engineering Dong Yang University Overall Flowsheet for DME Production Unit 18 TO FLARE 17 DA-103
More informationThermodynamic Models & Physical Properties
Thermodynamic Models & Physical Properties When building a simulation, it is important to ensure that the properties of pure components and mixtures are being estimated appropriately. In fact, selecting
More informationEquation of state. Contents. Overview. Historical. Boyle's law (1662)
Equation of state From Wikipedia, the free encyclopedia For the use of this concept in cosmology, see Equation of state (cosmology) In physics and thermodynamics, an equation of state is a relation between
More informationPublished in: Journal of Chemical & Engineering Data. DOI: /je Document Version Peer reviewed version
Isobaric Heat Capacity Measurements of Liquid Methane + Propane, Methane + Butane, and a Mixed Refrigerant by Differential Scanning Calorimetry at High Pressures and Low Temperatures Syed, T. H., Hughes,
More informationIndex to Tables in SI Units
Index to Tables in SI Units Table A-1 Atomic or Molecular Weights and Critical Properties of Selected Elements and Compounds 926 Table A-2 Properties of Saturated Water (Liquid Vapor): Temperature Table
More informationDETERMINATION AND PREDICTION OF THE ISOBARIC VAPOR- LIQUID-LIQUID EQUILIBRIUM DATA
DETERMINATION AND PREDICTION OF THE ISOBARIC VAPOR- LIQUID-LIQUID EQUILIBRIUM DATA Koichi Iwakabe and Hitoshi Kosuge Department of Chemical Engineering, Tokyo Institute of Technology 12-1, Ookayama-2,
More informationPVTpetro: A COMPUTATIONAL TOOL FOR ISOTHERM TWO- PHASE PT-FLASH CALCULATION IN OIL-GAS SYSTEMS
PVTpetro: A COMPUTATIONAL TOOL FOR ISOTHERM TWO- PHASE PT-FLASH CALCULATION IN OIL-GAS SYSTEMS A. M. BARBOSA NETO 1, A. C. BANNWART 1 1 University of Campinas, Mechanical Engineering Faculty, Energy Department
More informationAdam G. Hawley Darin L. George. Southwest Research Institute 6220 Culebra Road San Antonio, TX 78238
USE OF EQUATIONS OF STATE AND EQUATION OF STATE SOFTWARE PACKAGES Adam G. Hawley Darin L. George Southwest Research Institute 6220 Culebra Road San Antonio, TX 78238 Introduction Determination of fluid
More informationComparison of the GERG-2008 and Peng-Robinson Equations of State for Natural Gas Mixtures
RESEARCH ARTICLE OPEN ACCESS Comparison of the and Peng-Robinson Equations of State for Natural Gas Mixtures L. F. Baladão*, R. P. Soares**, P. R. B. Fernandes*** * (Virtual Laboratory for Properties Prediction,
More informationRigorous calculation of LNG flow reliefs using the GERG-2004 equation of state
Rigorous calculation of LNG reliefs using the GERG-2004 equation of state Luigi Raimondi Process Simulation Services www.xpsimworld.com Via Galvani 105, 20025 Legnano (MI) - Italy The design of process
More informationReactor Design within Excel Enabled by Rigorous Physical Properties and an Advanced Numerical Computation Package
Reactor Design within Excel Enabled by Rigorous Physical Properties and an Advanced Numerical Computation Package Mordechai Shacham Department of Chemical Engineering Ben Gurion University of the Negev
More informationAmmonia Synthesis with Aspen Plus V8.0
Ammonia Synthesis with Aspen Plus V8.0 Part 1 Open Loop Simulation of Ammonia Synthesis 1. Lesson Objectives Become comfortable and familiar with the Aspen Plus graphical user interface Explore Aspen Plus
More informationAn augmented hard core equation of state generalized in terms of T,, P, and o
Pure&App/. Chern., Vol. 61, No. 8, pp. 1413-1418, 1989. Printed in Great Britain. 0 1989 IUPAC An augmented hard core equation of state generalized in terms of T,, P, and o 1 2 Hasan Orbey and Juan H.
More informationCalorimetry in the near-critical and supercritical regions. Nitrous oxide + hydrocarbon mixtures*
Pure Appl. Chem., Vol. 71, No. 7, pp. 1197 1205, 1999. Printed in Great Britain. 1999 IUPAC Calorimetry in the near-critical and supercritical regions. Nitrous oxide + hydrocarbon mixtures* Juan A. R.
More informationGroup contribution methodsðideal tools for the synthesis and design of separation processes*
Pure Appl. Chem., Vol. 71, No. 6, pp. 939±949, 1999. Printed in Great Britain. q 1999 IUPAC Group contribution methodsðideal tools for the synthesis and design of separation processes* JuÈ rgen Gmehling²
More informationSOLUBILITY OF CO 2 IN BRANCHED ALKANES IN ORDER TO EXTEND THE PPR78 MODEL TO SUCH SYSTEMS
SOLUBILITY OF CO IN BRANCHED ALKANES IN ORDER TO EXTEND THE PPR78 MODEL TO SUCH SYSTEMS Fabrice MUTELET, Stéphane VITU and Jean-Noël JAUBERT (*) Institut National Polytechnique de Lorraine, Ecole Nationale
More informationExperimental and Simulation Study on the Reactive Distillation Process for the Production of Ethyl Acetate
Experimental and Simulation Study on the Reactive Distillation Process for the Production of Ethyl Acetate Jongkee Park, Na-Hyun Lee, So-Jin Park, and Jungho Cho, Separation Process Research Center, Korea
More informationDETERMINATION OF CRITICAL CONDITIONS FOR THE ESTERIFICATION OF ACETIC ACID WITH ETHANOL IN THE PRESENCE OF CARBON DIOXIDE
Brazilian Journal of Chemical Engineering ISSN 0104-6632 Printed in Brazil www.abeq.org.br/bjche Vol. 23, No. 03, pp. 359-364, July - September, 2006 DETERMINATION OF CRITICAL CONDITIONS FOR THE ESTERIFICATION
More informationOverall: 75 ECTS: 7.0
Course: Chemical Engineering Thermodynamics Language: English Lecturer: Prof. dr. sc. Marko Rogošić TEACHING WEEKLY SEMESTER Lectures 3 45 Laboratory 1 15 Seminar 1 15 Overall: 75 ECTS: 7.0 PURPOSE: Within
More informationHydrocarbon Components and Physical Properties Core COPYRIGHT. Basic Terminology
3/7/2017 Learning Objectives Hydrocarbon Components and Physical Properties Core Basic Terminology By the end of this lesson, you you will will be be able able to: to: Describe the concept of atomic mass,
More informationAN INTRODUCTION TO ASPEN Plus AT CITY COLLEGE
AN INTRODUCTION TO ASPEN Plus AT CITY COLLEGE Prepared by I. H. RINARD Department of Chemical Engineering November 1997 (Revised October 1999) ASPEN Plus provided by Aspen Technology, Inc. Cambridge, Massachusetts
More informationSolubility of Supercritical CO 2 in Polystyrene during Foam Formation via Statistical Associated Fluid Theory (SAFT) Equation of State
Journal of Minerals & Materials Characterization & Engineering, Vol. 9, No.5, pp.411-426, 2010 jmmce.org Printed in the USA. All rights reserved Solubility of Supercritical CO 2 in Polystyrene during Foam
More informationPREDICTION OF SATURATED LIQUID VOLUMES FROM A MODIFIED VAN DER WAALS EQUATION. By Charles R. Koppany
PREDICTION OF SATURATED LIQUID VOLUMES FROM A MODIFIED VAN DER WAALS EQUATION Part 1 By Charles R. Koppany Introduction Over the past 40 years or so, closed cubic (in volume) equations of state have been
More informationIntroduction (1) where ij denotes the interaction energy due to attractive force between i and j molecules and given by; (2)
(7)7 Prediction of Vapor-Liquid Equilibria of Binary Systems Consisting of Homogeneous Components by Using Wilson Equation with Parameters Estimated from Pure-Component Properties Shigetoshi KOBUCHI, Kei
More informationA Generalized Correlation for Pool Boiling Heat Transfer Coefficient Based on Corresponding State Rule for Pure Compounds and Binary Mixtures
A Generalized Correlation for Pool Boiling Heat Transfer Coefficient Based on Corresponding State Rule for Pure Compounds and Binary Mixtures HASAN QABAZARD and MAHMOOD MOSHFEGHIAN 1 Petroleum Research
More informationPhase Equilibria of binary mixtures by Molecular Simulation and PR-EOS: Methane + Xenon and Xenon + Ethane
International Journal of ChemTech Research CODEN( USA): IJCRGG ISSN : 0974-4290 Vol.5, No.6, pp 2975-2979, Oct-Dec 2013 Phase Equilibria of binary mixtures by Molecular Simulation and PR-EOS: Methane +
More informationExperimental Vapor-Liquid Equilibria for the Carbon Dioxide + Octane, and Carbon Dioxide + Decane Systems from 313 to 373 K
Experimental Vapor-Liquid Equilibria for the Carbon Dioxide + Octane, and Carbon Dioxide + Decane Systems from to K R. Jiménez-Gallegos, Luis A. Galicia-Luna* and O. Elizalde-Solis Instituto Politécnico
More informationCHAPTER SIX THERMODYNAMICS Vapor-Liquid Equilibrium in a Binary System 6.2. Investigation of the Thermodynamic Properties of Pure Water
CHAPTER SIX THERMODYNAMICS 6.1. Vapor-Liquid Equilibrium in a Binary System 6.2. Investigation of the Thermodynamic Properties of Pure Water 2 6.1. VAPOR-LIQUID EQUILIBRIUM IN A BINARY SYSTEM Keywords:
More informationAccuracy of vapour ^ liquid critical points computed from cubic equations of state
High Temperatures ^ High Pressures 2000 volume 32 pages 449 ^ 459 15 ECTP Proceedings pages 433 ^ 443 DOI:10.1068/htwu303 Accuracy of vapour ^ liquid critical points computed from cubic equations of state
More informationAnalyzing solubility of acid gas and light alkanes in triethylene glycol
From the SelectedWorks of ali ali 208 Analyzing solubility of acid gas and light alkanes in triethylene glycol ali ali Available at: https://works.bepress.com/bahadori/8/ Journal of Natural Gas Chemistry
More informationReview Article. VLE Properties from ISM Equation of State: Application to Pure and Mixture
Review Article PHYSICAL CHEMISTRY RESEARCH Published by the Iranian Chemical Society www.physchemres.org info@physchemres.org Phys. Chem. Res., Vol., No. 1, 16-, March 015. DOI: 10.06/pcr.015.798 VLE Properties
More informationDEVELOPING BINARY INTERACTION PARAMETERS FOR EQUATIONS OF STATE
Engineering Journal of Qatar University, Vol. 4, 1991, p. 1-14. DEVELOPING BINARY INTERACTION PARAMETERS FOR EQUATIONS OF STATE Mahmood Moshfeghian* and R. N. Maddox** *Visiting Professor from Shiraz University,
More informationPETE 310 Lectures # 36 to 37
PETE 310 Lectures # 36 to 37 Cubic Equations of State Last Lectures Instructional Objectives Know the data needed in the EOS to evaluate fluid properties Know how to use the EOS for single and for multicomponent
More informationPrediction of methanol content in natural gas with the GC-PR-CPA model Hajiw, Martha; Chapoy, Antonin; Coquelet, Christophe; Lauermann, Gerhard
Heriot-Watt University Heriot-Watt University Research Gateway Prediction of methanol content in natural gas with the GC-PR-CPA model Hajiw, Martha; Chapoy, Antonin; Coquelet, Christophe; Lauermann, Gerhard
More informationMixtures. Partial Molar Quantities
CHEM 331 Physical Chemistry Fall 2017 Mixtures Our current discussion takes up some general results for systems that are mixtures and/or open. The former involve systems that contain multiple components;
More informationEXTENDED SMOKER S EQUATION FOR CALCULATING NUMBER OF STAGES IN DISTILLATION
EXTENDED SMOKER S EQUATION FOR CALCULATING NUMBER OF STAGES IN DISTILLATION Santanu Bandyopadhyay Energy Systems Engineering and Department of Mechanical Engineering, Indian Institute of Technology, Bombay,
More informationChapter 19 Chemical Thermodynamics
Chapter 19. Chemical Thermodynamics Sample Exercise 19.2 (p. 819) Elemental mercury is a silver liquid at room temperature. Its normal freezing point is -38.9 o C, and its molar enthalpy of fusion is H
More informationTHERMODYNAMIC CONSISTENCY TESTS FOR PHASE EQUILIBRIUM IN LIQUID SOLUTE+SUPERCRITICAL SOLVENT MIXTURES
THERMODYNAMIC CONSISTENCY TESTS FOR PHASE EQUILIBRIUM IN LIQUID SOLUTE+SUPERCRITICAL SOLVENT MIXTURES José O. Valderrama 1, and Víctor H. Alvarez 1 Fac. de Ingeniería, Depto. Ing. Mecánica, Univ. de la
More informationExperimental Investigation of Excess molar enthalpies of binary mixtures formed by ethyl acetate (with Cyclohexane or 1-Butanol or 1- Hexene)
Experimental Investigation of Excess molar enthalpies of binary mixtures formed by ethyl acetate (with Cyclohexane or 1-Butanol or 1- Hexene) Mahendra V. Guddad 1*, K. L. Shivabasappa 2, Bhausaheb L. Pangarkar
More informationThermally Coupled Distillation Systems: Study of an Energy-efficient Reactive Case
F. O. BARROSO-MUÑOZ et al., Thermally Coupled Distillation Systems: Study of, Chem. Biochem. Eng. Q. 21 (2) 115 120 (2007) 115 Thermally Coupled Distillation Systems: Study of an Energy-efficient Reactive
More information4.3 CONCLUSION: HOW TO CHOOSE A MODEL The right questions Ionic liquids What is the property of interest?
Chapter 4 From Phases to Method (Models) Selection 325 4.2.7.2 Ionic liquids Ionic liquids are a new kind of solvent receiving considerable attention in the research community. These solvents are in fact
More informationA Cubic Hard-Core Equation of State
Fluid Phase Equilibria An International Journal Volume 206, Pages 27 39, 2003 Mohsen Mohsen-Nia a, Hamid Modarress b,, G.Ali Mansoori c a Kashan University, Kashan, Iran b Amir-Kabir University of Technology,
More informationCalculation of Solid Solubility of Complex Molecules in Supercritical Carbon Dioxide using a Solution Model Approach
Molecular Simulation, Vol. 9 (1), December 003, pp. 749 754 Calculation of Solid Solubility of Complex Molecules in Supercritical Carbon Dioxide using a Solution Model Approach JAW-SHIN CHENG, MUOI TANG*
More informationThe simultaneous prediction of vapor-liquid equilibrium and excess enthalpy. Kwon, Jung Hun. Thermodynamics and properties lab.
The simultaneous prediction of vapor-liquid equilibrium and excess enthalpy Kwon, Jung Hun. 2 Contents 1 A comparison of cubic EOS mixing rules for the simultaneous description of excess enthalpies and
More informationPhase equilibria experiments and calculations for carbon dioxide + methanol binary system
Cent. Eur. J. Chem. () 0 - DOI:.2/s5-00-005-5 Central European Journal of Chemistry Invited Paper Catinca Secuianu*, Viorel Feroiu, Dan Geană Department of Applied Physical Chemistry and Electrochemistry,
More informationCopyright 2017 Dan Dill 1
TP The order of normal boiling points is Acetone, CH 3 C O CH 3 30.8 Diethyl ether, CH 3 CH 2 2 O 71.7 Ethanol, CH 3 CH 2 OH 7.87 Water, H 2 O 3.17 0 Lecture 13 CH1 A1 (MWF 9:05 am) Friday, October 6,
More informationTHERMODYNAMIC ANALYSIS OF MULTICOMPONENT DISTILLATION-REACTION PROCESSES FOR CONCEPTUAL PROCESS DESIGN
THERMODYNAMIC ANALYSIS OF MULTICOMPONENT DISTILLATION-REACTION PROCESSES FOR CONCEPTUAL PROCESS DESIGN Oliver Ryll, Sergej Blagov 1, Hans Hasse Institute of Thermodynamics and Thermal Process Engineering,
More informationPy x P P P. Py x P. sat. dq du PdV. abs Q S. An Innovative Approach in the G U TS PV P P G U TS PV T H U PV H U PV. abs. Py x P. sat.
E a 1 1 sat sat ln Py x P Py x P K H k Ae R E sat a Py x P 1 1 sat ln K1 R Py x P K H k Ae R 1 CO P H 1 1 abs ln K H H 1/ R Q C 1 1 CO P ln S K H K1 R 1 P H abs H P K1 R CP 1 K1 R 1/ R S Q P 1 E a E du
More informationChapter 11. General Chemistry. Chapter 11/1
Chapter 11 Solutions and Their Properties Professor Sam Sawan General Chemistry 84.122 Chapter 11/1 Solutions Solution: A homogeneous mixture. Solvent: The major component. Solute: A minor component. Copyright
More informationUseful Information Provided on Exam 1. Sections Covered on Exam , 10.2, 10.8,
Chem 101B Exam 1 Study Questions Name: Chapters 10(partial), 11 & 12(partial) Review Tuesday 2/7/2017 Due on Exam Thursday 2/9/2017 (Exam 1 date) This is a homework assignment. Please show your work for
More informationRemember Chapter 12.1 Introduction to Kinetic Molecular Theory and Intermolecular forces
Remember Chapter 12.1 Introduction to Kinetic Molecular Theory and Intermolecular forces 1 To understand properties, we want to connect what we see to what is happening on a molecular level. Start with
More informationLecture Notes 1: Physical Equilibria Vapor Pressure
Lecture Notes 1: Physical Equilibria Vapor Pressure Our first exploration of equilibria will examine physical equilibria (no chemical changes) in which the only changes occurring are matter changes phases.
More informationSurface Tension Prediction for Liquid Mixtures
AIChE Journal, Volume 44, No. 10, pp. -32, October 1998 Surface Tension Prediction for Liquid Mixtures Joel Escobedo and G.Ali Mansoori (*) University of Illinois at Chicago (M/C 063) Chicago, IL 60607-7052,
More informationCalculations of thermodynamic derivative properties from the NRTL and UNIQUAC models
University of Nebraska - Lincoln From the SelectedWorks of YASAR DEMREL 1997 Calculations of thermodynamic derivative properties from the NRTL and UNQUAC models YASAR DEMREL Available at: https://works.bepress.com/yasar_demirel/61/
More informationProperty Prediction in Reactive Solutions
Property Prediction in Reactive Solutions Karin Wichmann*,1 1 COSMOlogic GmbH & Co. KG, Leverkusen, Germany In reactive solutions, reaction educts and products are coexistent and their concentrations are
More informationRK-, SRK-, & SRK-PR-TYPE EQUATION OF STATE FOR HYDROCARBONS, BASED ON SIMPLE MOLECULAR PROPERTIES
Journal of Applied Chemical Science International 2(2): 65-74, 2015 RK-, SRK-, & SRK-PR-TYPE EQUATION OF STATE FOR HYDROCARBONS, BASED ON SIMPLE MOLECULAR PROPERTIES KAMAL I AL-MALAH * Department of Chemical
More information2) Of the following substances, only has London dispersion forces as its only intermolecular force.
11.1 Multiple Choice and Bimodal Questions 1) Based on molecular mass and dipole moment of the five compounds in the table below, which should have the highest boiling point? A) CH 3CH 2 CH3 B) CH 3OCH3
More informationPhase Behavior and Its Effects on Reactions in Liquid and Supercritical CO 2. Lynnette A. Blanchard, Gang Xu, Mark A. Stadtherr and Joan F.
1 Phase Behavior and Its Effects on Reactions in Liquid and Supercritical CO 2 Lynnette A. Blanchard, Gang Xu, Mark A. Stadtherr and Joan F. Brennecke Department of Chemical Engineering, University of
More informationTemperature Prediction for High Pressure High Temperature Condensate Gas Flow Through Chokes
Energies 202, 5, 670-682; doi:0.3390/en5030670 Article OPEN ACCESS energies ISSN 996-073 www.mdpi.com/journal/energies Temperature Prediction for High Pressure High Temperature Condensate Gas Flow Through
More informationQuestion 2 Identify the phase transition that occurs when CO 2 solid turns to CO 2 gas as it is heated.
For answers, send email to: admin@tutor-homework.com. Include file name: Chemistry_Worksheet_0039 Price: $4 (c) 2012 www.tutor-homework.com: Tutoring, homework help, help with online classes. Chapter 11
More informationSOLUBILITY CALCULATION OF AROMATIC COMPOUNDS IN SUPERCRITICAL CO 2 BY GROUP CONTRIBUTION METHODS
SOLUBILITY CALCULATION OF AROMATIC COMPOUNDS IN SUPERCRITICAL CO 2 BY GROUP CONTRIBUTION METHODS Silvio A. B. Vieira de Melo 1, Gloria M. N. Costa 2 and Fernando L. P. Pessoa 3 1 ITP-UNIT Institute of
More informationPOLYMER SOLUTIONS AND SOLVENT-SUPERCRITICAL CARBON DIOXIDE STUDIES APPLYING PC-SAFT
The Pennsylvania State University The Graduate School Materials Science and Engineering POLYMER SOLUTIONS AND SOLVENT-SUPERCRITICAL CARBON DIOXIDE STUDIES APPLYING PC-SAFT A Thesis in Materials Science
More informationA Corresponding States Model for Generalized Engineering Equations of State
International Journal of Thermophysics, Vol. 26, No. 3, May 2005 ( 2005) DOI: 10.1007/s10765-005-5573-7 A Corresponding States Model for Generalized Engineering Equations of State L. Sun 1,2 and J. F.
More informationA generalized set of correlations for plus fraction characterization
370 Pet.Sci.(01)9:370-378 DOI 10.1007/s118-01-01-x A generalized set of correlations for plus fraction characterization JAMIALAHMADI Mohamad 1, ZANGENEH Hossein and HOSSEINI Seyed Sajad 1 Petroleum Engineering
More information