4.6 Article

Phosphorus Substitution Preference in Ye'elimite: Experiments and Density Functional Theory Simulations

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Insights on Substitution Preference of Pb Ions in Sulfoaluminate Cement Clinker Phases

Jianping Zhu et al.

Summary: The study revealed that Pb ions prefer to incorporate into the C(4)A(3)S phase in sulfoaluminate cement clinker, with the doping preference attributed to small distortions when Pb is introduced at the Ca sites of C(4)A(3)S. This understanding provides valuable information for guiding the synthesis of Pb-bearing SAC clinker, and is of interest in sustainable cement production and environmental protection.

MATERIALS (2021)

Article Computer Science, Interdisciplinary Applications

Analytical solution for longitudinal vibration of a floating pile in saturated porous media based on a fictitious saturated soil pile model

Chunyi Cui et al.

Summary: A new analytical approach is proposed for the vertical vibration of a floating pile in saturated viscoelastic soil based on Biot's theory, with the accuracy of the approach verified by comparisons with previous solutions. The study also examines the effects of various factors on the dynamic behavior of the floating pile, providing a wider application for pile foundation engineering.

COMPUTERS AND GEOTECHNICS (2021)

Article Green & Sustainable Science & Technology

Strength Performance and Microstructure of Calcium Sulfoaluminate Cement-Stabilized Soft Soil

Hailong Liu et al.

Summary: CSA-stabilized soil exhibited the highest UCS when the content of gypsum equaled 25 wt.% and had significantly higher early strength compared to OPC with the same mixing amounts. The intensity of Aft increased with the contents of gypsum increasing from 0 to 25 wt.%, and residual gypsum could be detected in the sample with 40 wt.% gypsum.

SUSTAINABILITY (2021)

Article Green & Sustainable Science & Technology

Revealing the doping mechanism of barium in sulfoaluminate cement clinker phases

Jianping Zhu et al.

Summary: Ba ions preferentially incorporate into the mineral C(4)A(3)(S) over bar by substituting Ca atoms, rather than entering the other two minerals. This doping preference is attributed to the efficiency of newly formed bonds, which is enhanced by electronic structure matching and small local distortions.

JOURNAL OF CLEANER PRODUCTION (2021)

Article Engineering, Environmental

Revealing the substitution preference of zinc in ordinary Portland cement clinker phases: A study from experiments and DFT calculations

Jianping Zhu et al.

Summary: The research investigated the doping behaviors of Zn in OPC clinker and found that Zn can replace Ca in C3S and C2S, and Fe in C(4)AF, resulting in a decrease in the content of C(3)A. The similarity in electron contributions and small structure distortions between Zn and host ions restrict its solubility in C(4)AF.

JOURNAL OF HAZARDOUS MATERIALS (2021)

Article Construction & Building Technology

Probing the exact form and doping preference of magnesium in ordinary Portland cement clinker phases: A study from experiments and DFT simulations

Ruiqi Zhao et al.

Summary: The systematic study on the existence form and doping behaviors of magnesium in ordinary Portland cement (OPC) clinker reveals that MgO incorporates into the clinker phases as substitutional solid solutions and periclase. The results also show a substitution preference in C3S and C(3)A over C2S, with different substitution mechanisms identified in different phases. The low solubility of magnesium in OPC clinker is determined by large structure distortions and sharp increase in formation energies with increasing MgO content.

CEMENT AND CONCRETE RESEARCH (2021)

Article Chemistry, Physical

Structural stability of belite sulfoaluminate clinkering polymorphs

M. Laanaiya et al.

Summary: The study investigates the properties of gamma- beta- polymorphic forms of belite, highlighting the higher water reactivity of beta-belite compared to gamma-belite. The research also finds similarities in mechanical properties between the two belite phases, with gamma-belite predicted to be slightly more rigid and resistant to mechanical loading than beta-belite.

SOLID STATE IONICS (2021)

Article Environmental Sciences

Efficient removal of phosphate impurities in waste phosphogypsum for the production of cement

Qiang Cai et al.

Summary: The use of oxalic acid can effectively remove phosphate impurities from phosphogypsum, allowing it to be used for cement production with good final strength properties. The treatment with oxalic acid not only reduces environmental pollution from phosphogypsum, but also offers a sustainable method for its utilization.

SCIENCE OF THE TOTAL ENVIRONMENT (2021)

Article Green & Sustainable Science & Technology

Phosphogypsum as a component of calcium sulfoaluminate cement: Hazardous elements immobilization, radioactivity and performances

Yongbo Huang et al.

JOURNAL OF CLEANER PRODUCTION (2020)

Article Construction & Building Technology

Formation, composition and stability of ye'elimite and iron-bearing solid solutions

F. Bullerjahn et al.

CEMENT AND CONCRETE RESEARCH (2020)

Article Environmental Sciences

Recycling phosphogypsum as a sole calcium oxide source in calcium sulfoaluminate cement and its environmental effects

Shuang Wu et al.

JOURNAL OF ENVIRONMENTAL MANAGEMENT (2020)

Article Construction & Building Technology

Hydration mechanisms of Ba-doped ye'elimite: Effect of Ba/Ca ratio on hydration behavior

Piqi Zhao et al.

CONSTRUCTION AND BUILDING MATERIALS (2020)

Article Construction & Building Technology

Hydration reactions and stages of clinker composed mainly of stoichiometric ye'elimite

Frank Bullerjahn et al.

CEMENT AND CONCRETE RESEARCH (2019)

Article Construction & Building Technology

Belite-calcium sulfoaluminate cement prepared with phosphogypsum: Influence of P2O5 and F on the clinker formation and cement performances

Yongbo Huang et al.

CONSTRUCTION AND BUILDING MATERIALS (2019)

Article Green & Sustainable Science & Technology

Understanding the zinc incorporation into silicate clinker during waste co-disposal of cement kiln: A density functional theory study

Yong Tao et al.

JOURNAL OF CLEANER PRODUCTION (2019)

Article Materials Science, Ceramics

Examination of ye'elimite formation mechanisms

Y. El Khessaimi et al.

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY (2019)

Article Construction & Building Technology

Cation substitution induced reactivity variation on the tricalcium silicate polymorphs determined from first-principles calculations

Qianqian Wang et al.

CONSTRUCTION AND BUILDING MATERIALS (2019)

Article Construction & Building Technology

Alite-belite-ye'elimite cements: Effect of dopants on the clinker phase composition and properties

Jesus D. Zea-Garcia et al.

CEMENT AND CONCRETE RESEARCH (2019)

Article Construction & Building Technology

Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study

Yong Tao et al.

CEMENT AND CONCRETE RESEARCH (2018)

Article Materials Science, Ceramics

Fundamental principles that govern the copper doping behavior in complex clinker system

Yong Tao et al.

JOURNAL OF THE AMERICAN CERAMIC SOCIETY (2018)

Article Polymer Science

Kinetic Analysis for Formation Process of Sr-Bearing Ye'elimite

Jiuye Zhao et al.

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2017)

Article Polymer Science

Crystallographic Analysis of Sr-Bearing Ye'elimite

Jiuye Zhao et al.

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2017)

Article Construction & Building Technology

Use of calcium sulfoaluminate cements for setting control of 3D-printing mortars

Noura Khalil et al.

CONSTRUCTION AND BUILDING MATERIALS (2017)

Article Construction & Building Technology

Rietveld refinement for Sr(Ba)-bearing ye'elimite

Jun Chang et al.

ADVANCES IN CEMENT RESEARCH (2016)

Article Construction & Building Technology

Utilisation of phosphogypsum for sulfate-rich belite sulfoaluminate cement production

Yan Shen et al.

ADVANCES IN CEMENT RESEARCH (2015)

Article Construction & Building Technology

Synthesis of belite sulfoaluminate-ternesite cements with phosphogypsum

Yan Shen et al.

CEMENT & CONCRETE COMPOSITES (2015)

Article Construction & Building Technology

Hydration mechanisms of two polymorphs of synthetic ye'elimite

A. Cuesta et al.

CEMENT AND CONCRETE RESEARCH (2014)

Article Construction & Building Technology

Kinetics of calcium sulfoaluminate formation from tricalcium aluminate, calcium sulfate and calcium oxide

Xuerun Li et al.

CEMENT AND CONCRETE RESEARCH (2014)

Article Construction & Building Technology

Expansion mechanisms in calcium aluminate and sulfoaluminate systems with calcium sulfate

Julien Bizzozero et al.

CEMENT AND CONCRETE RESEARCH (2014)

Article Chemistry, Multidisciplinary

Pseudocubic Crystal Structure and Phase Transition in Doped Ye'elimite

Ana Cuesta et al.

CRYSTAL GROWTH & DESIGN (2014)

Article Chemistry, Physical

Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite

Ana Cuesta et al.

CHEMISTRY OF MATERIALS (2013)

Review Construction & Building Technology

New cements for the 21st century: The pursuit of an alternative to Portland cement

Caijun Shi et al.

CEMENT AND CONCRETE RESEARCH (2011)

Article Construction & Building Technology

Advances in alternative cementitious binders

M. C. G. Juenger et al.

CEMENT AND CONCRETE RESEARCH (2011)

Article Chemistry, Physical

Structural and electrical properties of calcium and strontium hydrides

Maarten C. Verbraeken et al.

JOURNAL OF MATERIALS CHEMISTRY (2009)

Article Chemistry, Multidisciplinary

Incommensurate structure of Ca2Al2O5 at high temperatures -: structure investigation and Raman spectroscopy

Biljana Lazic et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE (2008)

Article Chemistry, Multidisciplinary

Structure and oxygen mobility in mayenite (Ca12Al14O33):: a high-temperature neutron powder diffraction study

H. Boysen et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS (2007)

Article Materials Science, Multidisciplinary

Design of shallow acceptors in ZnO: First-principles band-structure calculations

Jingbo Li et al.

PHYSICAL REVIEW B (2006)

Article Crystallography

First principles methods using CASTEP

SJ Clark et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)

Article Chemistry, Inorganic & Nuclear

Crystal structure analysis of beta-tricalcium phosphate Ca-3(PO4)(2) by neutron powder diffraction

M Yashima et al.

JOURNAL OF SOLID STATE CHEMISTRY (2003)

Article Construction & Building Technology

High-performance cement matrices based on calcium sulfoaluminate-belite compositions

FP Glasser et al.

CEMENT AND CONCRETE RESEARCH (2001)

Article Construction & Building Technology

Performance of belite-sulfoaluminate cements

K Quillin

CEMENT AND CONCRETE RESEARCH (2001)

Article Materials Science, Multidisciplinary

First-principles study of native point defects in ZnO

AF Kohan et al.

PHYSICAL REVIEW B (2000)