Water adsorption and diffusion in phosphoric acid-based geopolymer using molecular modeling
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Wei Zhou | Qiao Wang | X. Chang | Xing-hong Liu | Haixiang Hu | K. Huang | Hailin Yao | Yinping Li
[1] Qiao Wang,et al. Molecular dynamics simulation of phosphoric acid-based geopolymer , 2022, Journal of Solid State Chemistry.
[2] Yue Li,et al. Thermal stability, pore structure and moisture adsorption property of phosphate acid-activated metakaolin geopolymer , 2021 .
[3] Xinyuan Ke,et al. Assessing the suitability of alkali-activated metakaolin geopolymer for thermochemical heat storage , 2021 .
[4] S. Kenai,et al. Activation of slag through a combination of NaOH/NaS alkali for transforming it into geopolymer slag binder mortar – assessment the effects of two different Blaine fines and three different curing conditions , 2021 .
[5] Yue Li,et al. Properties and reaction mechanism of phosphoric acid activated metakaolin geopolymer at varied curing temperatures , 2021 .
[6] Shaoyun Pu,et al. A novel acidic phosphoric-based geopolymer binder for lead solidification/stabilization. , 2021, Journal of hazardous materials.
[7] C. Nanseu-Njiki,et al. Removal of lead ions from aqueous solution using phosphate‐based geopolymer cement composite , 2021 .
[8] B. Oboirien,et al. Equilibria and Isosteric Heat of Adsorption of Methane on Activated Carbons Derived from South African Coal Discards , 2020, ACS omega.
[9] N. Krishnan,et al. Dynamics of confined water and its interplay with alkali cations in sodium aluminosilicate hydrate gel: insights from reactive force field molecular dynamics. , 2020, Physical chemistry chemical physics : PCCP.
[10] M. Al‐Ghouti,et al. Guidelines for the use and interpretation of adsorption isotherm models: A review. , 2020, Journal of hazardous materials.
[11] Mahima Ganeshan,et al. Durability and microstructural studies on fly ash blended self-compacting geopolymer concrete , 2019, European Journal of Environmental and Civil Engineering.
[12] J. Dai,et al. Silico-Aluminophosphate and Alkali-Aluminosilicate Geopolymers: A Comparative Review , 2019, Front. Mater..
[13] A. Ghoufi,et al. Anomalous Dynamics of a Nanoconfined Gas in a Soft Metal-Organics Framework. , 2019, The journal of physical chemistry letters.
[14] W. Duan,et al. Molecular simulation of water and chloride ion diffusion in nanopores of alkali-activated aluminosilicate structures , 2018, Ceramics International.
[15] S. Poulopoulos,et al. Insights into the S-shaped sorption isotherms and their dimensionless forms , 2018, Microporous and Mesoporous Materials.
[16] Arnaud Castel,et al. Water vapor sorption isotherms, pore structure, and moisture transport characteristics of alkali-activated and Portland cement-based binders , 2018, Cement and Concrete Research.
[17] Tao Li,et al. Insights on magnesium and sulfate ions' adsorption on the surface of sodium alumino-silicate hydrate (NASH) gel: a molecular dynamics study. , 2018, Physical chemistry chemical physics : PCCP.
[18] C. Leonelli,et al. Water resistance and thermal behavior of metakaolin-phosphate-based geopolymer cements , 2018, Journal of Asian Ceramic Societies.
[19] K. Mermerdaş,et al. Effect of aggregate properties on the mechanical and absorption characteristics of geopolymer mortar , 2017 .
[20] Zhongxing Zhao,et al. Enhanced hydrophobic MIL(Cr) metal-organic framework with high capacity and selectivity for benzene VOCs capture from high humid air , 2017 .
[21] Stefan Bringuier,et al. A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders. , 2016, The Journal of chemical physics.
[22] A. Noushini,et al. The effect of heat-curing on transport properties of low-calcium fly ash-based geopolymer concrete , 2016 .
[23] S. Sufian,et al. Effective removal of methylene blue from water using phosphoric acid based geopolymers: synthesis, characterizations and adsorption studies , 2015 .
[24] K. Ng,et al. Adsorption characteristics of methane on Maxsorb III by gravimetric method , 2014 .
[25] W. Hajjaji,et al. Structure and properties of new eco-material obtained by phosphoric acid attack of natural Tunisian clay , 2014 .
[26] H. Inomata,et al. Prediction of VOCs adsorption equilibria on activated carbon in supercritical carbon dioxide over a wide range of temperature and pressure by using pure component adsorption data: Combined approach of the Dubinin–Astakhov equation and the non-ideal adsorbed solution theory (NIAST) , 2014 .
[27] H. Kamarudin,et al. The Relationship between Water Absorption and Porosity for Geopolymer Paste , 2014 .
[28] Mario Orsi,et al. Comparative assessment of the ELBA coarse-grained model for water , 2014 .
[29] M. Jahanshahi,et al. Equilibria and kinetics of natural gas adsorption on multi-walled carbon nanotube material , 2012 .
[30] Pradip Dutta,et al. A method for the calculation of the adsorbed phase volume and pseudo-saturation pressure from adsorption isotherm data on activated carbon. , 2011, Physical chemistry chemical physics : PCCP.
[31] A. Cheng,et al. Computation of Elastic Properties of Portland Cement Using Molecular Dynamics , 2011 .
[32] L. A. Rodrigues,et al. Thermodynamic and kinetic investigations of phosphate adsorption onto hydrous niobium oxide prepared by homogeneous solution method , 2010 .
[33] François-Xavier Coudert,et al. Water adsorption in hydrophobic MOF channels. , 2010, Physical chemistry chemical physics : PCCP.
[34] Xiaochun Li,et al. Small-molecule gas sorption and diffusion in coal: Molecular simulation , 2010 .
[35] Kim Choon Ng,et al. Theoretical insight of physical adsorption for a single-component adsorbent+adsorbate system: I. Thermodynamic property surfaces. , 2009, Langmuir : the ACS journal of surfaces and colloids.
[36] E. Vance,et al. Relative strengths of phosphoric acid-reacted and alkali-reacted metakaolin materials , 2008 .
[37] Vassilis J. Inglezakis,et al. Solubility-normalized Dubinin–Astakhov adsorption isotherm for ion-exchange systems , 2007 .
[38] Daniel S. Banks,et al. Anomalous diffusion of proteins due to molecular crowding. , 2005, Biophysical journal.
[39] Randall T. Cygan,et al. Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field , 2004 .
[40] R. Bustin,et al. Geological controls on coalbed methane reservoir capacity and gas content , 1998 .
[41] R. Cracknell,et al. A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores , 1993 .
[42] W. Goddard,et al. Charge equilibration for molecular dynamics simulations , 1991 .
[43] J. Davidovits. Geopolymers and geopolymeric materials , 1989 .
[44] Jinglin Zhang,et al. Nanoscale mechanism of ions immobilized by the geopolymer: A molecular dynamics study , 2020 .
[45] Haixiang Hu,et al. Detailed study on self- and multicomponent diffusion of CO 2 -CH 4 gas mixture in coal by molecular simulation , 2017 .