Aqueous Phase Adsorption : Theory, Simulations, and Experiments /
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Format: | Electronic eBook |
Language: | English |
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Milton :
Chapman and Hall/CRC,
2018.
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Online Access: | Taylor & Francis OCLC metadata license agreement |
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001 | 9781351272520 | ||
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005 | 20230120124837.0 | ||
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008 | 181103s2018 xx o 000 0 eng d | ||
040 | |a OCoLC-P |b eng |e pn |c OCoLC-P | ||
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020 | |a 1351272519 | ||
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020 | |z 1138575216 | ||
024 | 7 | |a 10.1201/9781351272520 |2 doi | |
035 | |a (OCoLC)1061104829 |z (OCoLC)1060992144 | ||
035 | |a (OCoLC-P)1061104829 | ||
050 | 4 | |a QD547 | |
082 | 0 | 4 | |a 660/.284235 |
245 | 0 | 0 | |a Aqueous Phase Adsorption : |b Theory, Simulations, and Experiments / |c edited by Jayant K. Singh, Nishith Verma. |
260 | |a Milton : |b Chapman and Hall/CRC, |c 2018. | ||
300 | |a 1 online resource (331 pages) | ||
336 | |a text |b txt |2 rdacontent | ||
336 | |a still image |b sti |2 rdacontent | ||
337 | |a computer |b c |2 rdamedia | ||
338 | |a online resource |b cr |2 rdacarrier | ||
505 | 0 | |a Cover; Half Title; Title Page; Copyright Page; Table of Contents; Preface; Editors; Contributors; Chapter 1: Theory, Molecular, Mesoscopic Simulations, and Experimental Techniques of Aqueous Phase Adsorption; 1.1 Adsorption from Liquid Solution; 1.2 Thermodynamics of Surface Adsorption; 1.2.1 Langmuir Isotherm; 1.2.2 Freundlich Isotherm; 1.2.3 BET (Brunauer, Emmett and Teller) Isotherm; 1.3 Computer Simulations for Adsorption Studies; 1.3.1 Molecular Simulations; 1.3.2 Monte Carlo Simulations; 1.3.3 Molecular Dynamics (MD) Simulation; 1.3.4 Average Properties; 1.3.5 Density Profiles. | |
505 | 8 | |a 1.3.6 Hydrogen Bonding1.3.7 Diffusion Coefficient; 1.3.7.1 Einstein Relation; 1.3.7.2 Green-Kubo Relation; 1.3.8 Residence Time; 1.3.9 Free Energy Calculations; 1.3.9.1 Basic Formulation of Free Energy Calculations; 1.3.9.2 Umbrella Sampling Method; 1.3.9.3 Weighted Histogram Analysis Method (WHAM); 1.4 Mesoscopic Approach; 1.4.1 Introduction to LBM; 1.4.2 D2Q9 Square Lattice; 1.4.3 Model Development for the 2-D Flow of a Pure Fluid; 1.4.4 Equilibrium Distribution Function; 1.4.5 Boundary Conditions; 1.4.6 LBM-Based Model for Adsorption in Packed Beds; 1.4.7 Adsorption Breakthrough Analysis. | |
505 | 8 | |a 1.4.8 Boundary Conditions1.5 Experimental Techniques; 1.5.1 Equilibrium Adsorption Loading from Flow Study; References; Chapter 2: Graphene Nanopores-Based Separation of Impurities from Aqueous Medium; 2.1 Introduction; 2.2 Separation of Metal Ions from Aqueous Solution; 2.2.1 Graphene-Based Membranes; 2.2.2 Graphene Oxide; 2.3 Separation of Organic Compounds; 2.4 Potential of Mean Force (PMF); 2.5 Summary; Acknowledgments; References; Chapter 3: Computational Chemistry Assisted Simulation for Metal Ion Separation in the Aqueous-Organic Biphasic Systems; 3.1 Introduction. | |
505 | 8 | |a 3.2 Complexation of U(VI) towards N, N-Dihexyl-2-ethylhexanamide (DH2EHA)3.2.1 Structure and Structural Parameters of Various Chemical Species; 3.2.2 Binding and Free Energy of Complexation; 3.3 Complexation of and Pu4+ towards N, N-dihexyloctanamide (DHOA); 3.3.1 Structure and Structural Parameters of Various Chemical Species; 3.3.2 Free Energy of Extraction; 3.4 Complexation Selectivity of and Pu4+ Ion towards Tetramethyl Diglycolamide (TMDGA); 3.4.1 Structure and Structural Parameters of Various Chemical Species; 3.4.2 Solvation and Free Energy of Extraction. | |
505 | 8 | |a 3.5 Binding of and Pu4+ Ions with Ethylene Glycol Methacrylate Phosphate Anchored Graphene Oxide3.5.1 Structure and Thermodynamics; 3.6 Uranyl-TBP Complexes at the Aqueous-Organic Interface; 3.6.1 Structural Parameters; 3.7 Separation of Minor Actinides using N-Donor Containing Extractants; 3.8 Conclusion; Acknowledgments; References; Chapter 4: Aqueous Separation in Metal-Organic Frameworks: From Experiments to Simulations; 4.1 Introduction; 4.2 Water Stability; 4.3 Experimental Studies; 4.3.1 Cations; 4.3.2 Anions; 4.3.3 Organics; 4.4 Simulation Studies; 4.4.1 Water Desalination. | |
500 | |a 4.4.2 Biofuel Purification. | ||
588 | |a OCLC-licensed vendor bibliographic record. | ||
650 | 0 | |a Adsorption. |9 25962 | |
700 | 1 | |a Singh, Jayant K. |9 25963 | |
700 | 1 | |a Verma, Nishith. |9 25964 | |
856 | 4 | 0 | |3 Taylor & Francis |u https://www.taylorfrancis.com/books/9781351272520 |
856 | 4 | 2 | |3 OCLC metadata license agreement |u http://www.oclc.org/content/dam/oclc/forms/terms/vbrl-201703.pdf |
999 | |c 206345 |d 206344 |