Daniel M. Whittaker
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View article: Process flowsheet test of the i-SANEX process with CHON-compliant ligands in aqueous and organic phases
Process flowsheet test of the i-SANEX process with CHON-compliant ligands in aqueous and organic phases Open
We report the results of a "CHON-compliant" i-SANEX flowsheet test using a surrogate feed with process concentrations of 241Am (>1 g/L) and major lanthanide and fission product species in a 32-stage counter-current centrifugal contactor (C…
View article: Radiolytic transformation of AHA under single-cycle conditions
Radiolytic transformation of AHA under single-cycle conditions Open
Historically, the radiation robustness of extractant ligands and the impact of their radiolysis products have been used to evaluate the radiolytic feasibility of solvent system formulations for used nuclear fuel (UNF) reprocessing. However…
View article: Cover Feature: Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling (ChemPhysChem 5/2023)
Cover Feature: Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling (ChemPhysChem 5/2023) Open
The Cover Feature represents acetohydroxamic acid degradation in used nuclear fuel reprocessing cycles, where it is broken down by hydrolysis and radiation in aqueous nitric acid to form acetic acid, hydroxylamine, nitrous oxide, and hydro…
View article: Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling
Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling Open
Acetohydroxamic acid (AHA) has been proposed for inclusion in advanced, single‐cycle, used nuclear fuel reprocessing solvent systems for the reduction and complexation of plutonium and neptunium ions. For this application, a detailed descr…
View article: Experimental Test of a Process Upset in the EURO-GANEX Process and Spectroscopic Study of the Product
Experimental Test of a Process Upset in the EURO-GANEX Process and Spectroscopic Study of the Product Open
EURO-GANEX is an innovative hydrometallurgical process for the group separation of transuranic actinides from future spent nuclear fuels. A flowsheet test of a process upset (or ‘maloperation’) has been carried out involving the reduction …
View article: Applications of Diglycolamide Based Solvent Extraction Processes in Spent Nuclear Fuel Reprocessing, Part 1: TODGA
Applications of Diglycolamide Based Solvent Extraction Processes in Spent Nuclear Fuel Reprocessing, Part 1: TODGA Open
Over the last decade there has been much interest in the applications of diglycolamide (DGA) ligands for the extraction of the trivalent lanthanide and actinide ions from PUREX high active raffinates or dissolved spent nuclear fuel. Of the…
View article: Plutonium coordination and redox chemistry with the CyMe<sub>4</sub>-BTPhen polydentate N-donor extractant ligand
Plutonium coordination and redox chemistry with the CyMe<sub>4</sub>-BTPhen polydentate N-donor extractant ligand Open
Complexation of Pu(iv) with the actinide extractant CyMe4-BTPhen (2,9-bis(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-yl)-1,10-phenanthroline) was studied experimentally and by computational analysis.
View article: CCDC 1854313: Experimental Crystal Structure Determination
CCDC 1854313: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 943938: Experimental Crystal Structure Determination
CCDC 943938: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 943935: Experimental Crystal Structure Determination
CCDC 943935: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 889456: Experimental Crystal Structure Determination
CCDC 889456: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 943937: Experimental Crystal Structure Determination
CCDC 943937: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 889457: Experimental Crystal Structure Determination
CCDC 889457: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 943936: Experimental Crystal Structure Determination
CCDC 943936: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores
Rhenium(I) Tricarbonyl Complexes with Peripheral N-Coordination Sites: A Foundation for Heterotrimetallic Nonlinear Optical Chromophores Open
The compounds 4,4′-dicyano-2,2′-bipyridyl (dcbpy), 4,4′-bis(4-cyanophenyl)-2,2′-bipyridyl (bcpbpy), 4,4′-bis[(E)-2-(4-cyanophenyl)vinyl]-2,2′-bipyridyl (bcpvbpy), and 4,4′-bis[(E)-2-(4-pyridyl)vinyl]-2,2′-bipyridyl (bpvbpy) are used to pre…
View article: Modelling of Innovative SANEX Process Maloperations
Modelling of Innovative SANEX Process Maloperations Open
The innovative (i-) SANEX process for the separation of minor actinides from PUREX highly active raffinate is expected to employ a solvent phase comprising 0.2M TODGA with 5 v/v% 1-octanol in an inert diluent. An initial extract / scrub se…
View article: Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers
Nonlinear Optical Chromophores with Two Ferrocenyl, Octamethylferrocenyl, or 4-(Diphenylamino)phenyl Groups Attached to Rhenium(I) or Zinc(II) Centers Open
The compounds 4,4′-bis[(E)-2-R-vinyl]-2,2′-bipyridyl {R = ferrocenyl [(Fcv)_2bpy], octamethylferrocenyl [(Me_8Fcv)_2bpy] or 4-(diphenylamino)phenyl [(Dapv)_2bpy]} are used to prepare eight new complexes with Zn^(II)Cl_2, Zn^(II)(OAc)_2, or…
View article: CCDC 1406548: Experimental Crystal Structure Determination
CCDC 1406548: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1406546: Experimental Crystal Structure Determination
CCDC 1406546: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1406545: Experimental Crystal Structure Determination
CCDC 1406545: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1406547: Experimental Crystal Structure Determination
CCDC 1406547: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …