DOI: 10.1016/s0378-3812(00)00315-0. Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation

Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation

10.1016/s0378-3812(00)00315-0

Crossref journal-article

Elsevier BV

Fluid Phase Equilibria (78)

Bibliography

Vorholz, J., Harismiadis, V. I., Rumpf, B., Panagiotopoulos, A. Z., & Maurer, G. (2000). Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation. Fluid Phase Equilibria, 170(2), 203â234.

Authors 5

J Vorholz (first)
V.I Harismiadis (additional)
B Rumpf (additional)
A.Z Panagiotopoulos (additional)
G Maurer (additional)

References 48 Referenced 144

{'key': '10.1016/S0378-3812(00)00315-0_BIB1', 'first-page': '627', 'article-title': 'Field-perturbed water', 'volume': '85', 'author': 'Zhu', 'year': '1994', 'journal-title': 'Chem. Phys. Ser.'} / Chem. Phys. Ser. / Field-perturbed water by Zhu (1994)
{'key': '10.1016/S0378-3812(00)00315-0_BIB2', 'series-title': 'Computer Simulations of Liquid Systems: Possibilities and Principal Results, in Chemistry of Nonaqueous Solutions: Current Progress', 'first-page': '307', 'author': 'Kessler', 'year': '1994'} / Computer Simulations of Liquid Systems: Possibilities and Principal Results, in Chemistry of Nonaqueous Solutions: Current Progress by Kessler (1994)
10.1080/00268978700101491 / Mol. Phys. / Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble by Panagiotopoulos (1987)
10.1080/00268978800100361 / Mol. Phys. / Phase equilibria by simulation in the Gibbs ensemble: alternative derivation, generalization and application to mixture and membrane equilibria by Panagiotopoulos (1988)
10.1016/0009-2614(96)01012-3 / Chem. Phys. Lett. / Alternative implementations of the Gibbs ensemble Monte Carlo calculation by Kristóf (1996)
10.1080/00268979809482344 / Mol. Phys. / Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures by Kristóf (1998)
10.1080/00268979000100341 / Mol. Phys. / Vapor–liquid equilibrium of a pure fluid from test particle method in combination with NpT molecular dynamics simulations by Möller (1990)
10.1080/00268979200102111 / Mol. Phys. / Vapor–liquid equilibria of the Lennard–Jones fluid from the NpT plus test particle method by Lotfi (1992)
10.1103/PhysRevLett.61.2635 / Phys. Rev. Lett. / New Monte Carlo technique for studying phase transitions by Ferrenberg (1988)
A. Lotfi, Molekulardynamische Simulationen an Fluiden: Phasengleichgewicht und Verdampfung, PhD Thesis, Ruhr-Universität Bochum, Germany, see also Fortschrittsberichte VDI, Reihe 3, Nr. 335, VDI-Verlag Düsseldorf, 1993.
10.1021/j100007a006 / J. Phys. Chem. / Molecular simulation of the vapor–liquid coexistence curve of methanol by van Leeuwen (1995)
10.1016/0378-3812(94)80002-2 / Fluid Phase Equilib. / Determination of an effective intermolecular potential for carbon dioxide using vapor–liquid phase equilibria from NpT+test particle simulations by Möller (1994)
10.1021/j100031a034 / J. Phys. Chem. / Carbon dioxide's liquid–vapor coexistence curve and critical properties as predicted by a simple molecular model by Harris (1995)
10.1080/00268979909482913 / Mol. Phys. / A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia by Kristof (1999)
{'key': '10.1016/S0378-3812(00)00315-0_BIB15', 'series-title': 'Intermolecular Forces', 'first-page': '331', 'article-title': 'Interaction models for water in relation to protein hydration', 'author': 'Berendsen', 'year': '1981'} / Intermolecular Forces / Interaction models for water in relation to protein hydration by Berendsen (1981)
{'key': '10.1016/S0378-3812(00)00315-0_BIB16', 'first-page': '926', 'article-title': 'The missing term in effective pair potentials', 'volume': '79', 'author': 'Berendsen', 'year': '1987', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. / The missing term in effective pair potentials by Berendsen (1987)
10.1063/1.445869 / J. Chem. Phys. / Comparison of simple potential functions for simulating liquid water by Jorgensen (1983)
10.1016/0301-0104(89)80166-1 / Chem. Phys. / Effective pair potentials and the properties of water by Watanabe (1989)
10.1063/1.461956 / J. Chem. Phys. / Polarizability effects in a four-charge model for water by Kozack (1992)
10.1063/1.474552 / J. Chem. Phys. / Gibbs ensemble Monte Carlo simulation of the properties of water with a fluctuating charges model by Medeiros (1997)
10.1021/jp972582l / J. Phys. Chem. B / Engineering a molecular model for water phase equilibrium over a wide temperature range by Boulougouris (1998)
10.1021/jp982068v / J. Phys. Chem. B / A fixed-point charge model for water optimized to the vapor–liquid coexistence properties by Errington (1998)
10.1016/0378-3812(89)80085-8 / Fluid Phase Equilib. / Phase equilibria for fluid mixtures from Monte Carlo simulation by de Pablo (1989)
10.1063/1.459409 / J. Chem. Phys. / Molecular simulation of water along the liquid–vapor coexistence curve from 25°C to the critical point by de Pablo (1990)
10.1063/1.464527 / J. Chem. Phys. / A computer simulation study of the liquid–vapor coexistence curve of water by Guissani (1993)
10.1063/1.469505 / J. Chem. Phys. / Molecular dynamics simulation of the orthobaric densities and surface tension of water by Alejandre (1995)
10.1080/00268979809482372 / Mol. Phys. / Phase coexistence properties of polarizable water models by Kiyohara (1998)
{'key': '10.1016/S0378-3812(00)00315-0_BIB28', 'series-title': 'Computer Simulation of Liquids', 'author': 'Allen', 'year': '1987'} / Computer Simulation of Liquids by Allen (1987)
10.1080/00268979000102241 / Mol. Phys. / Rotational insertion bias: a novel method for simulating dense phases of structured particles, with particular application to water by Cracknell (1990)
10.1080/00268979200100061 / Mol. Phys. / Configurational bias Monte Carlo: a new sampling scheme for flexible chains by Siepmann (1992)
10.1080/00268979500101921 / Mol. Phys. / Parallel Gibbs ensemble simulations by Loyens (1995)
10.1080/00268978900102641 / Mol. Phys. / Computer simulations in the Gibbs ensemble by Smit (1989)
10.1063/1.448472 / J. Chem. Phys. / Geometrical considerations in systems with periodic boundary conditions by Theodorou (1985)
10.1098/rspa.1980.0135 / Proc. R. Soc. London, Ser. A / Simulation of electrostatic systems in periodic boundary conditions: I. Lattice sums and dielectric constants by de Leeuw (1980)
10.1063/1.472721 / J. Chem. Phys. / Efficient pressure estimation in molecular simulations without evaluating the virial by Harismiadis (1996)
10.1080/08927029208047432 / Mol. Simul. / Theoretical calculation of the liquid–vapor coexistence curve of water, chloroform and methanol with the cavity-biased Monte Carlo method in the Gibbs ensemble by Mezei (1992)
{'key': '10.1016/S0378-3812(00)00315-0_BIB37', 'first-page': '227', 'article-title': 'Equations of state exactly representing the phase behavior of pure substances', 'volume': '5', 'author': 'Bender', 'year': '1970', 'journal-title': 'Proc. Symp. Thermophys. Prop.'} / Proc. Symp. Thermophys. Prop. / Equations of state exactly representing the phase behavior of pure substances by Bender (1970)
10.1080/08927029308022522 / Mol. Simul. / The effect of the combined volume on the efficiency of Gibbs ensemble simulations by Mezei (1993)
10.1063/1.475683 / J. Chem. Phys. / Number dependence concerns in Gibbs ensemble Monte Carlo by Valleau (1998)
10.1021/ja01871a025 / J. Am. Chem. Soc. / The solubility in water of carbon dioxide at 50, 75, and 100°, at pressures to 700 atmospheres by Wiebe (1939)
10.1021/je00026a012 / J. Chem. Eng. Data / Solubility of carbon dioxide in liquid water and of water in gaseous carbon dioxide in the range 0.2–5 MPa and at temperatures up to 473 K by Zawisza (1981)
10.1021/cr60094a004 / Chem. Rev. / The binary system carbon dioxide–water under pressure by Wiebe (1941)
10.1021/ja00737a004 / J. Am. Chem. Soc. / Solubility of water in compressed carbon dioxide, nitrous oxide and ethane. Evidence for hydration of carbon dioxide and nitrous oxide in the gas phase by Coan (1971)
{'key': '10.1016/S0378-3812(00)00315-0_BIB44', 'first-page': '1250', 'volume': '14', 'author': 'Zelvenskij', 'year': '1937', 'journal-title': 'J. Chem. Ind. (Moscow)'} / J. Chem. Ind. (Moscow) by Zelvenskij (1937)
10.1524/zpch.1963.37.5_6.387 / Z. Phys. Chem. Neue Folge / Das Zweiphasengebiet und die kritische Kurve im System Kohlendioxid — Wasser bis zu Drücken von 3500 bar by Tödheide (1963)
10.1021/je00057a027 / J. Chem. Eng. Data / Solubilities of carbon dioxide in water and 1 wt.% NaCl solution at pressures up to 10 MPa and temperatures from 80 to 200°C by Nighswander (1989)
10.1002/bbpc.19930970116 / Ber. Bunsen-Ges. Phys. Chem. / An experimental and theoretical investigation on the solubility of carbon dioxide in aqueous solutions of strong electrolytes by Rumpf (1993)
10.1016/0378-3812(93)85118-6 / Fluid Phase Equilib. / Application of a generalized bender equation of state to the description of vapor–liquid equilibria in binary systems by Platzer (1993)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 8 a.m.)
Deposited	6 years, 4 months ago (April 26, 2019, 6:25 a.m.)
Indexed	2 months, 2 weeks ago (June 11, 2025, 8:25 a.m.)
Issued	25 years, 4 months ago (April 1, 2000)
Published	25 years, 4 months ago (April 1, 2000)
Published Print	25 years, 4 months ago (April 1, 2000)

Funders 0

None

BibTeX

@article{Vorholz_2000, title={Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation}, volume={170}, ISSN={0378-3812}, url={http://dx.doi.org/10.1016/s0378-3812(00)00315-0}, DOI={10.1016/s0378-3812(00)00315-0}, number={2}, journal={Fluid Phase Equilibria}, publisher={Elsevier BV}, author={Vorholz, J and Harismiadis, V.I and Rumpf, B and Panagiotopoulos, A.Z and Maurer, G}, year={2000}, month=apr, pages={203–234} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        11
      ]
    ],
    "date-time": "2025-06-11T12:25:33Z",
    "timestamp": 1749644733166
  },
  "reference-count": 48,
  "publisher": "Elsevier BV",
  "issue": "2",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2000,
            4,
            1
          ]
        ],
        "date-time": "2000-04-01T00:00:00Z",
        "timestamp": 954547200000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2000,
        4
      ]
    ]
  },
  "DOI": "10.1016/s0378-3812(00)00315-0",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        25
      ]
    ],
    "date-time": "2002-07-25T12:00:43Z",
    "timestamp": 1027598443000
  },
  "page": "203-234",
  "source": "Crossref",
  "is-referenced-by-count": 144,
  "title": "Vapor+liquid equilibrium of water, carbon dioxide, and the binary system, water+carbon dioxide, from molecular simulation",
  "prefix": "10.1016",
  "volume": "170",
  "author": [
    {
      "given": "J",
      "family": "Vorholz",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "V.I",
      "family": "Harismiadis",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "B",
      "family": "Rumpf",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "A.Z",
      "family": "Panagiotopoulos",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "G",
      "family": "Maurer",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB1",
      "first-page": "627",
      "article-title": "Field-perturbed water",
      "volume": "85",
      "author": "Zhu",
      "year": "1994",
      "journal-title": "Chem. Phys. Ser."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB2",
      "series-title": "Computer Simulations of Liquid Systems: Possibilities and Principal Results, in Chemistry of Nonaqueous Solutions: Current Progress",
      "first-page": "307",
      "author": "Kessler",
      "year": "1994"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB3",
      "doi-asserted-by": "crossref",
      "first-page": "813",
      "DOI": "10.1080/00268978700101491",
      "article-title": "Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble",
      "volume": "61",
      "author": "Panagiotopoulos",
      "year": "1987",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "527",
      "DOI": "10.1080/00268978800100361",
      "article-title": "Phase equilibria by simulation in the Gibbs ensemble: alternative derivation, generalization and application to mixture and membrane equilibria",
      "volume": "63",
      "author": "Panagiotopoulos",
      "year": "1988",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "620",
      "DOI": "10.1016/0009-2614(96)01012-3",
      "article-title": "Alternative implementations of the Gibbs ensemble Monte Carlo calculation",
      "volume": "261",
      "author": "Krist\u00f3f",
      "year": "1996",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "519",
      "DOI": "10.1080/00268979809482344",
      "article-title": "Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures",
      "volume": "94",
      "author": "Krist\u00f3f",
      "year": "1998",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB7",
      "doi-asserted-by": "crossref",
      "first-page": "463",
      "DOI": "10.1080/00268979000100341",
      "article-title": "Vapor\u2013liquid equilibrium of a pure fluid from test particle method in combination with NpT molecular dynamics simulations",
      "volume": "69",
      "author": "M\u00f6ller",
      "year": "1990",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "1319",
      "DOI": "10.1080/00268979200102111",
      "article-title": "Vapor\u2013liquid equilibria of the Lennard\u2013Jones fluid from the NpT plus test particle method",
      "volume": "76",
      "author": "Lotfi",
      "year": "1992",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB9",
      "doi-asserted-by": "crossref",
      "first-page": "2635",
      "DOI": "10.1103/PhysRevLett.61.2635",
      "article-title": "New Monte Carlo technique for studying phase transitions",
      "volume": "61",
      "author": "Ferrenberg",
      "year": "1988",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB10",
      "unstructured": "A. Lotfi, Molekulardynamische Simulationen an Fluiden: Phasengleichgewicht und Verdampfung, PhD Thesis, Ruhr-Universit\u00e4t Bochum, Germany, see also Fortschrittsberichte VDI, Reihe 3, Nr. 335, VDI-Verlag D\u00fcsseldorf, 1993."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "1831",
      "DOI": "10.1021/j100007a006",
      "article-title": "Molecular simulation of the vapor\u2013liquid coexistence curve of methanol",
      "volume": "99",
      "author": "van Leeuwen",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB12",
      "doi-asserted-by": "crossref",
      "first-page": "35",
      "DOI": "10.1016/0378-3812(94)80002-2",
      "article-title": "Determination of an effective intermolecular potential for carbon dioxide using vapor\u2013liquid phase equilibria from NpT+test particle simulations",
      "volume": "100",
      "author": "M\u00f6ller",
      "year": "1994",
      "journal-title": "Fluid Phase Equilib."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB13",
      "doi-asserted-by": "crossref",
      "first-page": "12021",
      "DOI": "10.1021/j100031a034",
      "article-title": "Carbon dioxide's liquid\u2013vapor coexistence curve and critical properties as predicted by a simple molecular model",
      "volume": "99",
      "author": "Harris",
      "year": "1995",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "1129",
      "DOI": "10.1080/00268979909482913",
      "article-title": "A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia",
      "volume": "97",
      "author": "Kristof",
      "year": "1999",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB15",
      "series-title": "Intermolecular Forces",
      "first-page": "331",
      "article-title": "Interaction models for water in relation to protein hydration",
      "author": "Berendsen",
      "year": "1981"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB16",
      "first-page": "926",
      "article-title": "The missing term in effective pair potentials",
      "volume": "79",
      "author": "Berendsen",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "926",
      "DOI": "10.1063/1.445869",
      "article-title": "Comparison of simple potential functions for simulating liquid water",
      "volume": "79",
      "author": "Jorgensen",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "157",
      "DOI": "10.1016/0301-0104(89)80166-1",
      "article-title": "Effective pair potentials and the properties of water",
      "volume": "131",
      "author": "Watanabe",
      "year": "1989",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB19",
      "doi-asserted-by": "crossref",
      "first-page": "3120",
      "DOI": "10.1063/1.461956",
      "article-title": "Polarizability effects in a four-charge model for water",
      "volume": "96",
      "author": "Kozack",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB20",
      "doi-asserted-by": "crossref",
      "first-page": "2012",
      "DOI": "10.1063/1.474552",
      "article-title": "Gibbs ensemble Monte Carlo simulation of the properties of water with a fluctuating charges model",
      "volume": "107",
      "author": "Medeiros",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB21",
      "doi-asserted-by": "crossref",
      "first-page": "1029",
      "DOI": "10.1021/jp972582l",
      "article-title": "Engineering a molecular model for water phase equilibrium over a wide temperature range",
      "volume": "102",
      "author": "Boulougouris",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB22",
      "doi-asserted-by": "crossref",
      "first-page": "7470",
      "DOI": "10.1021/jp982068v",
      "article-title": "A fixed-point charge model for water optimized to the vapor\u2013liquid coexistence properties",
      "volume": "102",
      "author": "Errington",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB23",
      "doi-asserted-by": "crossref",
      "first-page": "177",
      "DOI": "10.1016/0378-3812(89)80085-8",
      "article-title": "Phase equilibria for fluid mixtures from Monte Carlo simulation",
      "volume": "53",
      "author": "de Pablo",
      "year": "1989",
      "journal-title": "Fluid Phase Equilib."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB24",
      "doi-asserted-by": "crossref",
      "first-page": "7355",
      "DOI": "10.1063/1.459409",
      "article-title": "Molecular simulation of water along the liquid\u2013vapor coexistence curve from 25\u00b0C to the critical point",
      "volume": "93",
      "author": "de Pablo",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB25",
      "doi-asserted-by": "crossref",
      "first-page": "8221",
      "DOI": "10.1063/1.464527",
      "article-title": "A computer simulation study of the liquid\u2013vapor coexistence curve of water",
      "volume": "98",
      "author": "Guissani",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "4574",
      "DOI": "10.1063/1.469505",
      "article-title": "Molecular dynamics simulation of the orthobaric densities and surface tension of water",
      "volume": "102",
      "author": "Alejandre",
      "year": "1995",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "803",
      "DOI": "10.1080/00268979809482372",
      "article-title": "Phase coexistence properties of polarizable water models",
      "volume": "94",
      "author": "Kiyohara",
      "year": "1998",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB28",
      "series-title": "Computer Simulation of Liquids",
      "author": "Allen",
      "year": "1987"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "931",
      "DOI": "10.1080/00268979000102241",
      "article-title": "Rotational insertion bias: a novel method for simulating dense phases of structured particles, with particular application to water",
      "volume": "5",
      "author": "Cracknell",
      "year": "1990",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB30",
      "doi-asserted-by": "crossref",
      "first-page": "59",
      "DOI": "10.1080/00268979200100061",
      "article-title": "Configurational bias Monte Carlo: a new sampling scheme for flexible chains",
      "volume": "75",
      "author": "Siepmann",
      "year": "1992",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "171",
      "DOI": "10.1080/00268979500101921",
      "article-title": "Parallel Gibbs ensemble simulations",
      "volume": "2",
      "author": "Loyens",
      "year": "1995",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB32",
      "doi-asserted-by": "crossref",
      "first-page": "931",
      "DOI": "10.1080/00268978900102641",
      "article-title": "Computer simulations in the Gibbs ensemble",
      "volume": "68",
      "author": "Smit",
      "year": "1989",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "955",
      "DOI": "10.1063/1.448472",
      "article-title": "Geometrical considerations in systems with periodic boundary conditions",
      "volume": "82",
      "author": "Theodorou",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB34",
      "doi-asserted-by": "crossref",
      "first-page": "27",
      "DOI": "10.1098/rspa.1980.0135",
      "article-title": "Simulation of electrostatic systems in periodic boundary conditions: I. Lattice sums and dielectric constants",
      "volume": "373",
      "author": "de Leeuw",
      "year": "1980",
      "journal-title": "Proc. R. Soc. London, Ser. A"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB35",
      "doi-asserted-by": "crossref",
      "first-page": "8469",
      "DOI": "10.1063/1.472721",
      "article-title": "Efficient pressure estimation in molecular simulations without evaluating the virial",
      "volume": "105",
      "author": "Harismiadis",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB36",
      "doi-asserted-by": "crossref",
      "first-page": "257",
      "DOI": "10.1080/08927029208047432",
      "article-title": "Theoretical calculation of the liquid\u2013vapor coexistence curve of water, chloroform and methanol with the cavity-biased Monte Carlo method in the Gibbs ensemble",
      "volume": "9",
      "author": "Mezei",
      "year": "1992",
      "journal-title": "Mol. Simul."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB37",
      "first-page": "227",
      "article-title": "Equations of state exactly representing the phase behavior of pure substances",
      "volume": "5",
      "author": "Bender",
      "year": "1970",
      "journal-title": "Proc. Symp. Thermophys. Prop."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "395",
      "DOI": "10.1080/08927029308022522",
      "article-title": "The effect of the combined volume on the efficiency of Gibbs ensemble simulations",
      "volume": "11",
      "author": "Mezei",
      "year": "1993",
      "journal-title": "Mol. Simul."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB39",
      "doi-asserted-by": "crossref",
      "first-page": "2962",
      "DOI": "10.1063/1.475683",
      "article-title": "Number dependence concerns in Gibbs ensemble Monte Carlo",
      "volume": "108",
      "author": "Valleau",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB40",
      "doi-asserted-by": "crossref",
      "first-page": "315",
      "DOI": "10.1021/ja01871a025",
      "article-title": "The solubility in water of carbon dioxide at 50, 75, and 100\u00b0, at pressures to 700 atmospheres",
      "volume": "61",
      "author": "Wiebe",
      "year": "1939",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB41",
      "doi-asserted-by": "crossref",
      "first-page": "388",
      "DOI": "10.1021/je00026a012",
      "article-title": "Solubility of carbon dioxide in liquid water and of water in gaseous carbon dioxide in the range 0.2\u20135 MPa and at temperatures up to 473 K",
      "volume": "26",
      "author": "Zawisza",
      "year": "1981",
      "journal-title": "J. Chem. Eng. Data"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB42",
      "doi-asserted-by": "crossref",
      "first-page": "475",
      "DOI": "10.1021/cr60094a004",
      "article-title": "The binary system carbon dioxide\u2013water under pressure",
      "volume": "21",
      "author": "Wiebe",
      "year": "1941",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB43",
      "doi-asserted-by": "crossref",
      "first-page": "1857",
      "DOI": "10.1021/ja00737a004",
      "article-title": "Solubility of water in compressed carbon dioxide, nitrous oxide and ethane. Evidence for hydration of carbon dioxide and nitrous oxide in the gas phase",
      "volume": "93",
      "author": "Coan",
      "year": "1971",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB44",
      "first-page": "1250",
      "volume": "14",
      "author": "Zelvenskij",
      "year": "1937",
      "journal-title": "J. Chem. Ind. (Moscow)"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB45",
      "doi-asserted-by": "crossref",
      "first-page": "387",
      "DOI": "10.1524/zpch.1963.37.5_6.387",
      "article-title": "Das Zweiphasengebiet und die kritische Kurve im System Kohlendioxid \u2014 Wasser bis zu Dr\u00fccken von 3500 bar",
      "volume": "37",
      "author": "T\u00f6dheide",
      "year": "1963",
      "journal-title": "Z. Phys. Chem. Neue Folge"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB46",
      "doi-asserted-by": "crossref",
      "first-page": "355",
      "DOI": "10.1021/je00057a027",
      "article-title": "Solubilities of carbon dioxide in water and 1 wt.% NaCl solution at pressures up to 10 MPa and temperatures from 80 to 200\u00b0C",
      "volume": "34",
      "author": "Nighswander",
      "year": "1989",
      "journal-title": "J. Chem. Eng. Data"
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB47",
      "doi-asserted-by": "crossref",
      "first-page": "85",
      "DOI": "10.1002/bbpc.19930970116",
      "article-title": "An experimental and theoretical investigation on the solubility of carbon dioxide in aqueous solutions of strong electrolytes",
      "volume": "97",
      "author": "Rumpf",
      "year": "1993",
      "journal-title": "Ber. Bunsen-Ges. Phys. Chem."
    },
    {
      "key": "10.1016/S0378-3812(00)00315-0_BIB48",
      "doi-asserted-by": "crossref",
      "first-page": "79",
      "DOI": "10.1016/0378-3812(93)85118-6",
      "article-title": "Application of a generalized bender equation of state to the description of vapor\u2013liquid equilibria in binary systems",
      "volume": "84",
      "author": "Platzer",
      "year": "1993",
      "journal-title": "Fluid Phase Equilib."
    }
  ],
  "container-title": "Fluid Phase Equilibria",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0378381200003150?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0378381200003150?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        4,
        26
      ]
    ],
    "date-time": "2019-04-26T10:25:58Z",
    "timestamp": 1556274358000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0378381200003150"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2000,
        4
      ]
    ]
  },
  "references-count": 48,
  "journal-issue": {
    "issue": "2",
    "published-print": {
      "date-parts": [
        [
          2000,
          4
        ]
      ]
    }
  },
  "alternative-id": [
    "S0378381200003150"
  ],
  "URL": "http://dx.doi.org/10.1016/S0378-3812(00)00315-0",
  "relation": {},
  "ISSN": [
    "0378-3812"
  ],
  "subject": [],
  "container-title-short": "Fluid Phase Equilibria",
  "published": {
    "date-parts": [
      [
        2000,
        4
      ]
    ]
  }
}