Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment.

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Abstract Text:

Atichat Wongkoblap,Duong D Do,Atichat Wongkoblap,Duong D Do,Atichat Wongkoblap,Duong D Do,

The effects of surface dimensions and topology on the adsorption of water on a graphite surface at 298 K were investigated using the grand canonical Monte Carlo (GCMC) simulation. Regarding the surface topology, we specifically considered the functional group and its position on the surface. The hydroxyl group (OH) is used as a model for the functional group. For describing the interaction of water, we used the potential model proposed by Muller et al., and the simulated isotherms of water in slit pores are found to depend on the position and concentration of the functional group. The onset of adsorption shifts to lower pressure when the concentration of functional group increases or when the functional group is positioned at the center of the graphene surface. The configuration of a group of functional groups also affects the adsorption isotherm. In all cases investigated, we have found that the hysteresis loop always exists, and the loop size depends on the concentration of the functional group and its position. Finally, we tested the molecular model of water adsorption on a functional graphite pore against the experimental data of a commercial activated carbon. The agreement is found to be satisfactory when the model porous solid is composed of pores having width in the range between 10 and 20 A and functional groups positioned at the center of the graphitic wall.

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Publishing Authors By Initials

A Wongkoblap,DD Do,A Wongkoblap,DD Do,A Wongkoblap,DD Do,

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The journal of physical chemistry. B

VOLUME: 111

Page Numbers: 13949-56

Journal Abbreviation:

ISSN: 1520-6106

DAY: 29

MONTH: 11

YEAR: 2007

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 101157530

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment.

AFFILIATION: Department of Chemical Engineering, University of Queensland, St Lucia, Queensland 4072, Australia.

Country: United States

AGENCY:

GRANT:

ACRONYM:

MEDLINETA: J Phys Chem B

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment Related Publications

• "Click" xylosides initiate glycosaminoglycan biosynthesis in a mammalian cell line.
• A glutathione deficit alters dopamine modulation of L-type calcium channels via D2 and ryanodine receptors in neurons.
• A pilot of audio computer-assisted self-interview for youth reproductive health research in Vietnam.
• Adsorption of Water in Finite Length Carbon Slit Pore: Comparison between Computer Simulation and Experiment.
• Aluminium-salen luminophores as new hole-blocking materials for phosphorescent OLEDs.
• Appropriate volumes for adsorption isotherm studies: The absolute void volume, accessible pore volume and enclosing particle volume.
• Biomarker expression patterns that correlate with high grade features in treatment naive, organ-confined prostate cancer.
• Changes in motor activity and biomechanics during balance recovery following cutaneous and muscular deafferentation.
• Characteristic heats of adsorption for slit pore and defected pore models.
• Charcot spine in a person with congenital insensitivity to pain with anhydrosis: a case report of re-diagnosis.
• Collinear guided wave to leaky wave acoustooptic interactions in proton-exchanged LiNbO(3) waveguides.
• Effects of magnesium sulphate on intraoperative anaesthetic requirements and postoperative analgesia in gynaecology patients receiving total intravenous anaesthesia.
• Ethanol increases the activity of rat excitatory amino acid transporter type 4 expressed in Xenopus oocytes: role of protein kinase C and phosphatidylinositol 3-kinase.
• Evaluation of three algorithms to identify incident breast cancer in Medicare claims data.
• Glutamate-induced retinal lipid and protein damage: The protective effects of catechin.
• Impaired glutathione synthesis in schizophrenia: convergent genetic and functional evidence.
• Internal iliac artery embolization before endovascular repair of aortoiliac aneurysms with a nitinol vascular occlusion plug.
• MR imaging of popliteal pterygium syndrome in pediatric patients.
• Multivariate causal attribution and cost-effectiveness of a national mass media campaign in the Philippines.
• Novel chlorotitanium complexes containing chiral tridentate schiff base ligands for ring-opening polymerization of lactide.
• Novel synthetic strategy for developing an isospecific unbridged metallocene system for propylene polymerization.
• Optimizing long-term therapy for Parkinson disease: levodopa, dopamine agonists, and treatment-associated dyskinesia.
• Palliative radiation therapy for localized prostate symptoms in hormone refractory prostate cancer.
• Racial differences in self-reports of sleep duration in a population-based study.
• Ranibizumab for the treatment of neovascular AMD.
• Severe symptomatic vasospasm after rupture of an arteriovenous malformation.
• Substance use among a sample of foreign- and U.S.-born southeast Asians in an urban setting.
• The Compton source efficiency tracing method in liquid scintillation counting: A new standardization method using a TDCR counter with a Compton spectrometer.
• [Strengthening Causal Inference in Studies using Non-experimental Data: An Application of Propensity Score and Instrumental Variable Methods.]
• [Ulcus cruris--vascular etiology and surgical treatment options]