Molecular Dynamics Simulation of Calcium Sulfate Nucleation in Homogeneous and Heterogeneous Crystallization Conditions: An Application in Water Flooding

Zahra Kargozarfard; Ali Haghtalab; Shahab Ayatollahi; Mohammad Hasan Badizad

doi:10.1021/acs.iecr.0c04290

Molecular Dynamics Simulation of Calcium Sulfate Nucleation in Homogeneous and Heterogeneous Crystallization Conditions: An Application in Water Flooding

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.0c04290 ◽

2020 ◽

Vol 59 (51) ◽

pp. 22258-22271

Author(s):

Zahra Kargozarfard ◽

Ali Haghtalab ◽

Shahab Ayatollahi ◽

Mohammad Hasan Badizad

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Calcium Sulfate ◽

Dynamics Simulation ◽

Water Flooding ◽

Crystallization Conditions ◽

Heterogeneous Crystallization

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Interaction energies, structure, and dynamics at functionalized graphitic structure–liquid phase interfaces in an aqueous calcium sulfate solution by molecular dynamics simulation

Carbon ◽

10.1016/j.carbon.2009.11.044 ◽

2010 ◽

Vol 48 (4) ◽

pp. 1210-1223 ◽

Cited By ~ 24

Author(s):

F. Sanchez ◽

L. Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Phase ◽

Calcium Sulfate ◽

Sulfate Solution ◽

Dynamics Simulation ◽

Interaction Energies ◽

Graphitic Structure ◽

Structure And Dynamics ◽

Structure Liquid

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Control of Crystal Morphology and Size of Calcium Sulfate Whiskers in Aqueous HCl Solutions by Additives: Experimental and Molecular Dynamics Simulation Studies

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.5b00585 ◽

2015 ◽

Vol 54 (17) ◽

pp. 4781-4787 ◽

Cited By ~ 34

Author(s):

Xiulong Mao ◽

Xingfu Song ◽

Guimin Lu ◽

Yuzhu Sun ◽

Yanxia Xu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Calcium Sulfate ◽

Crystal Morphology ◽

Dynamics Simulation ◽

Simulation Studies ◽

Calcium Sulfate Whiskers

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Effect of additives on the morphology of calcium sulfate hemihydrate: Experimental and molecular dynamics simulation studies

Chemical Engineering Journal ◽

10.1016/j.cej.2014.10.006 ◽

2015 ◽

Vol 278 ◽

pp. 320-327 ◽

Cited By ~ 48

Author(s):

Xiulong Mao ◽

Xingfu Song ◽

Guimin Lu ◽

Yanxia Xu ◽

Yuzhu Sun ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Calcium Sulfate ◽

Dynamics Simulation ◽

Simulation Studies ◽

Effect Of Additives ◽

Calcium Sulfate Hemihydrate

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Effect of Al 3+ on crystal morphology and size of calcium sulfate hemihydrate: Experimental and molecular dynamics simulation study

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2018.05.013 ◽

2018 ◽

Vol 495 ◽

pp. 29-36 ◽

Cited By ~ 11

Author(s):

Hao Fan ◽

Xingfu Song ◽

Tianjie Liu ◽

Yanxia Xu ◽

Jianguo Yu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Calcium Sulfate ◽

Crystal Morphology ◽

Dynamics Simulation ◽

Calcium Sulfate Hemihydrate

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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