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f | 1 | { | f | 1 | { |
2 | "author": "Kant, Paul", | 2 | "author": "Kant, Paul", | ||
3 | "author_email": "", | 3 | "author_email": "", | ||
4 | "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700", | 4 | "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700", | ||
5 | "doi": "10.35097/1439", | 5 | "doi": "10.35097/1439", | ||
6 | "doi_date_published": "2023", | 6 | "doi_date_published": "2023", | ||
7 | "doi_publisher": "", | 7 | "doi_publisher": "", | ||
8 | "doi_status": "True", | 8 | "doi_status": "True", | ||
9 | "groups": [], | 9 | "groups": [], | ||
10 | "id": "70175834-ae7e-4df2-a887-0d76a0470cea", | 10 | "id": "70175834-ae7e-4df2-a887-0d76a0470cea", | ||
11 | "isopen": false, | 11 | "isopen": false, | ||
12 | "license_id": "CC BY-SA 4.0 Attribution-ShareAlike", | 12 | "license_id": "CC BY-SA 4.0 Attribution-ShareAlike", | ||
13 | "license_title": "CC BY-SA 4.0 Attribution-ShareAlike", | 13 | "license_title": "CC BY-SA 4.0 Attribution-ShareAlike", | ||
14 | "metadata_created": "2023-08-04T08:50:47.610358", | 14 | "metadata_created": "2023-08-04T08:50:47.610358", | ||
t | 15 | "metadata_modified": "2023-08-04T08:52:04.113033", | t | 15 | "metadata_modified": "2023-08-04T08:53:36.905076", |
16 | "name": "rdr-doi-10-35097-1439", | 16 | "name": "rdr-doi-10-35097-1439", | ||
17 | "notes": "Abstract: Sonnengest\u00fctzte Fotosynthesen stellen einen | 17 | "notes": "Abstract: Sonnengest\u00fctzte Fotosynthesen stellen einen | ||
18 | Weg dar die Herausforderungen zu meistern, die aus der Notwendigkeit | 18 | Weg dar die Herausforderungen zu meistern, die aus der Notwendigkeit | ||
19 | fossile Energietr\u00e4ger in der Weltwirtschaft zu ersetzen | 19 | fossile Energietr\u00e4ger in der Weltwirtschaft zu ersetzen | ||
20 | resultieren. Die Fortschritte im Bereich solarer Fotosynthesen | 20 | resultieren. Die Fortschritte im Bereich solarer Fotosynthesen | ||
21 | h\u00e4ngen dabei stark von neuen Prozessdesigns ab. Deren Entwicklung | 21 | h\u00e4ngen dabei stark von neuen Prozessdesigns ab. Deren Entwicklung | ||
22 | setzt verl\u00e4ssliche Methoden zur Bestimmung von Quantenausbeuten | 22 | setzt verl\u00e4ssliche Methoden zur Bestimmung von Quantenausbeuten | ||
23 | und Fotoreaktionskinetiken und die F\u00e4higkeit Strahlungstransport | 23 | und Fotoreaktionskinetiken und die F\u00e4higkeit Strahlungstransport | ||
24 | in Fotoreaktoren akkurat abbilden zu k\u00f6nnen voraus. Das Gebiet | 24 | in Fotoreaktoren akkurat abbilden zu k\u00f6nnen voraus. Das Gebiet | ||
25 | der Fotoreaktionstechnik ist jedoch ein wenig entwickeltes Feld, in | 25 | der Fotoreaktionstechnik ist jedoch ein wenig entwickeltes Feld, in | ||
26 | dem es an verl\u00e4sslichen und offen zug\u00e4nglichen Methoden | 26 | dem es an verl\u00e4sslichen und offen zug\u00e4nglichen Methoden | ||
27 | f\u00fcr Strahlungstransportsimulationen und standardisierten | 27 | f\u00fcr Strahlungstransportsimulationen und standardisierten | ||
28 | Fotoreaktoren f\u00fcr die Bestimmung von Quantenausbeuten und | 28 | Fotoreaktoren f\u00fcr die Bestimmung von Quantenausbeuten und | ||
29 | Fotoreaktionskinetiken fehlt. Mit dem vorliegenden Datensatz wird | 29 | Fotoreaktionskinetiken fehlt. Mit dem vorliegenden Datensatz wird | ||
30 | sowohl ein Satz von CAD Dateien zur Herstellung (via 3D Druck) eines | 30 | sowohl ein Satz von CAD Dateien zur Herstellung (via 3D Druck) eines | ||
31 | Fotoreaktors f\u00fcr die akkurate Bestimmung von Quantenausbeuten und | 31 | Fotoreaktors f\u00fcr die akkurate Bestimmung von Quantenausbeuten und | ||
32 | Fotoreaktionskinetiken als auch eine umfassende, MATLAB\u00ae-basierte | 32 | Fotoreaktionskinetiken als auch eine umfassende, MATLAB\u00ae-basierte | ||
33 | Toolbox f\u00fcr Strahlungstransportsimulationen bereitgestellt. Der | 33 | Toolbox f\u00fcr Strahlungstransportsimulationen bereitgestellt. Der | ||
34 | vorgeschlagene Fotoreaktor weist eine isophotonische Reaktionszone | 34 | vorgeschlagene Fotoreaktor weist eine isophotonische Reaktionszone | ||
35 | auf, was bedeutet, dass die Reaktionszone nur kleine Gradienten in der | 35 | auf, was bedeutet, dass die Reaktionszone nur kleine Gradienten in der | ||
36 | lokalen volumetrischen Photonenabsorptionsrate aufweist. Die Toolbox | 36 | lokalen volumetrischen Photonenabsorptionsrate aufweist. Die Toolbox | ||
37 | erlaubt die Berechnung von Strahlungstransporteffizienzen im | 37 | erlaubt die Berechnung von Strahlungstransporteffizienzen im | ||
38 | isophotonischen Fotoreaktor und stellt damit die Basis f\u00fcr eine | 38 | isophotonischen Fotoreaktor und stellt damit die Basis f\u00fcr eine | ||
39 | sinnvolle Datenauswertung in Experimenten mit dem vorgeschlagenen | 39 | sinnvolle Datenauswertung in Experimenten mit dem vorgeschlagenen | ||
40 | Fotoreaktor dar. \u00dcber diesen konkreten Anwendungsfall der Toolbox | 40 | Fotoreaktor dar. \u00dcber diesen konkreten Anwendungsfall der Toolbox | ||
41 | hinaus, kann die Toolbox auch f\u00fcr andere Anwendungen im Bereich | 41 | hinaus, kann die Toolbox auch f\u00fcr andere Anwendungen im Bereich | ||
42 | Strahlungstransportsimulationen eingesetzt werden. Diese reichen von | 42 | Strahlungstransportsimulationen eingesetzt werden. Diese reichen von | ||
43 | der Auswertung von Versuchen zur Bestimmung von optischen | 43 | der Auswertung von Versuchen zur Bestimmung von optischen | ||
44 | Transporteigenschaften \u00fcber die Auslegung von Lichtquellen hin | 44 | Transporteigenschaften \u00fcber die Auslegung von Lichtquellen hin | ||
45 | zur Optimierung von Fotoreaktoren. Der bereitgestellte Datensatz kann | 45 | zur Optimierung von Fotoreaktoren. Der bereitgestellte Datensatz kann | ||
46 | damit nicht nur die Arbeit von Materialwissenschaftler*innen im | 46 | damit nicht nur die Arbeit von Materialwissenschaftler*innen im | ||
47 | Bereich der Entwicklung von Fotokatalysatoren mit hohen | 47 | Bereich der Entwicklung von Fotokatalysatoren mit hohen | ||
48 | Quantenausbeuten unterst\u00fctzen, sondern kann auch im Rahmen der | 48 | Quantenausbeuten unterst\u00fctzen, sondern kann auch im Rahmen der | ||
49 | Arbeit von Chemieingenieur*innen eingesetzt werden, die die | 49 | Arbeit von Chemieingenieur*innen eingesetzt werden, die die | ||
50 | Entwicklung von effizienten Fotoreaktoren und Lichtquellen f\u00fcr | 50 | Entwicklung von effizienten Fotoreaktoren und Lichtquellen f\u00fcr | ||
51 | spezifische Fotokatalysatoren oder Anwendungsf\u00e4lle | 51 | spezifische Fotokatalysatoren oder Anwendungsf\u00e4lle | ||
52 | vorantreiben.\r\nAbstract: Solar driven photocatalysis represents one | 52 | vorantreiben.\r\nAbstract: Solar driven photocatalysis represents one | ||
53 | way to address challenges arising from the need to substitute fossil | 53 | way to address challenges arising from the need to substitute fossil | ||
54 | energy carriers in the world\u2019s economy. The developments in the | 54 | energy carriers in the world\u2019s economy. The developments in the | ||
55 | field of photocatalysis heavily depend on new process designs whose | 55 | field of photocatalysis heavily depend on new process designs whose | ||
56 | development require methods for the determination of quantum yields | 56 | development require methods for the determination of quantum yields | ||
57 | and photoreaction kinetics as well as the ability to map radiation | 57 | and photoreaction kinetics as well as the ability to map radiation | ||
58 | transport in complex photoreactors. However, the field of | 58 | transport in complex photoreactors. However, the field of | ||
59 | photoreaction engineering is an underdeveloped field lacking reliable | 59 | photoreaction engineering is an underdeveloped field lacking reliable | ||
60 | and open access tools for radiation transport simulations and | 60 | and open access tools for radiation transport simulations and | ||
61 | standardized photoreactors for quantum yield and photoreaction kinetic | 61 | standardized photoreactors for quantum yield and photoreaction kinetic | ||
62 | measurements. With this data set both a set of CAD files for the | 62 | measurements. With this data set both a set of CAD files for the | ||
63 | facile fabrication of an isophotonic photoreactor for the | 63 | facile fabrication of an isophotonic photoreactor for the | ||
64 | determination of quantum yields in gas, liquid, and multi-phase | 64 | determination of quantum yields in gas, liquid, and multi-phase | ||
65 | photoreactions via additive manufacturing as well as a comprehensive | 65 | photoreactions via additive manufacturing as well as a comprehensive | ||
66 | MATLAB\u00ae-based toolbox for radiation transport simulations in | 66 | MATLAB\u00ae-based toolbox for radiation transport simulations in | ||
67 | photoreactors are given. The proposed photoreactor is designed in a | 67 | photoreactors are given. The proposed photoreactor is designed in a | ||
68 | way that its reaction volume is isophotonic, which means that the | 68 | way that its reaction volume is isophotonic, which means that the | ||
69 | reaction volume shows low gradients in the local volumetric rate of | 69 | reaction volume shows low gradients in the local volumetric rate of | ||
70 | photon absorption. The toolbox allows the determination of radiation | 70 | photon absorption. The toolbox allows the determination of radiation | ||
71 | transport efficiencies within the isophotonic photoreactor and | 71 | transport efficiencies within the isophotonic photoreactor and | ||
72 | therewith provides the basis for meaningful data evaluation of | 72 | therewith provides the basis for meaningful data evaluation of | ||
73 | experiments conducted with the isophotonic photoreactor. Beyond this | 73 | experiments conducted with the isophotonic photoreactor. Beyond this | ||
74 | concrete use case of the provided toolbox, the toolbox can also be | 74 | concrete use case of the provided toolbox, the toolbox can also be | ||
75 | employed for radiation transport simulations in many other use cases. | 75 | employed for radiation transport simulations in many other use cases. | ||
76 | Those range from the evaluation of experiments aiming for the | 76 | Those range from the evaluation of experiments aiming for the | ||
77 | determination of optical properties over light source design to the | 77 | determination of optical properties over light source design to the | ||
78 | optimization of photoreactors. The data set therewith not only can | 78 | optimization of photoreactors. The data set therewith not only can | ||
79 | support the further development of high quantum yield materials by | 79 | support the further development of high quantum yield materials by | ||
80 | material scientists in the field of photocatalysis but also can be | 80 | material scientists in the field of photocatalysis but also can be | ||
81 | used by chemical engineers working on new, high efficiency photo | 81 | used by chemical engineers working on new, high efficiency photo | ||
82 | reactors or sophisticated light sources especially designed for | 82 | reactors or sophisticated light sources especially designed for | ||
83 | specific photocatalysts and/or use cases.\r\nTechnicalRemarks: The | 83 | specific photocatalysts and/or use cases.\r\nTechnicalRemarks: The | ||
84 | data set comprises (a) all CAD files that are needed to print an | 84 | data set comprises (a) all CAD files that are needed to print an | ||
85 | isophotonic photoreactor for the precise determination of quantum | 85 | isophotonic photoreactor for the precise determination of quantum | ||
86 | yields in gas, liquid, and multi-phase photoreactions and (b) a | 86 | yields in gas, liquid, and multi-phase photoreactions and (b) a | ||
87 | MATLAB\u00ae toolbox named phoRex that allows the determination of | 87 | MATLAB\u00ae toolbox named phoRex that allows the determination of | ||
88 | spectral radiation transport efficiencies (= transport efficiencies | 88 | spectral radiation transport efficiencies (= transport efficiencies | ||
89 | from the light source of the isophotonic photoreactor into the | 89 | from the light source of the isophotonic photoreactor into the | ||
90 | reaction volume) as well as other radiation transport related | 90 | reaction volume) as well as other radiation transport related | ||
91 | performance metrices via a Monte Carlo ray tracing approach. For | 91 | performance metrices via a Monte Carlo ray tracing approach. For | ||
92 | details on the reactor design and the simulation environment please | 92 | details on the reactor design and the simulation environment please | ||
93 | refer to the corresponding publication (DOI: | 93 | refer to the corresponding publication (DOI: | ||
94 | 10.1016/j.cej.2022.139204).\r\nThe toolbox requires a working | 94 | 10.1016/j.cej.2022.139204).\r\nThe toolbox requires a working | ||
95 | MATLAB\u00ae installation (2018 or later) including the MATLAB | 95 | MATLAB\u00ae installation (2018 or later) including the MATLAB | ||
96 | parallel computing toolbox. Installation of the toolbox is in | 96 | parallel computing toolbox. Installation of the toolbox is in | ||
97 | accordance with the standard MATLAB\u00ae procedure for the | 97 | accordance with the standard MATLAB\u00ae procedure for the | ||
98 | installation of new toolboxes. \r\nAfter installation, phoRex provides | 98 | installation of new toolboxes. \r\nAfter installation, phoRex provides | ||
99 | an environment for Monte Carlo ray tracing simulations mapping | 99 | an environment for Monte Carlo ray tracing simulations mapping | ||
100 | radiation transport in 3D in channel-like geometries, for instance | 100 | radiation transport in 3D in channel-like geometries, for instance | ||
101 | photoreactors. For the simulation of the isophotonic photoreactor a | 101 | photoreactors. For the simulation of the isophotonic photoreactor a | ||
102 | comprehensive live script example is given with the file example.mlx | 102 | comprehensive live script example is given with the file example.mlx | ||
103 | comprised in the toolbox. The example guides through the usage of the | 103 | comprised in the toolbox. The example guides through the usage of the | ||
104 | provided code in the context of quantum yield determination using the | 104 | provided code in the context of quantum yield determination using the | ||
105 | proposed isophotonic photoreactor.\r\nFurther, the comprised | 105 | proposed isophotonic photoreactor.\r\nFurther, the comprised | ||
106 | pre-processing script preProcessQY.m lines out how simulations are set | 106 | pre-processing script preProcessQY.m lines out how simulations are set | ||
107 | up in the provided Monte Carlo ray tracing environment. This code | 107 | up in the provided Monte Carlo ray tracing environment. This code | ||
108 | example can be employed to understand how to set up own simulation | 108 | example can be employed to understand how to set up own simulation | ||
109 | cases for other use cases than the simulation of the isophotonic | 109 | cases for other use cases than the simulation of the isophotonic | ||
110 | photoreactor proposed for the accurate determination of quantum | 110 | photoreactor proposed for the accurate determination of quantum | ||
111 | yields. \r\nFor detailed information on the code structure of the | 111 | yields. \r\nFor detailed information on the code structure of the | ||
112 | Monte Carlo ray tracing approach itself, the author refers to the | 112 | Monte Carlo ray tracing approach itself, the author refers to the | ||
113 | extensively commented source code given with the class definitions of | 113 | extensively commented source code given with the class definitions of | ||
114 | the toolbox.", | 114 | the toolbox.", | ||
115 | "num_resources": 0, | 115 | "num_resources": 0, | ||
116 | "num_tags": 4, | 116 | "num_tags": 4, | ||
117 | "orcid": "0000-0002-1512-3041", | 117 | "orcid": "0000-0002-1512-3041", | ||
118 | "organization": { | 118 | "organization": { | ||
119 | "approval_status": "approved", | 119 | "approval_status": "approved", | ||
120 | "created": "2023-01-12T13:30:23.238233", | 120 | "created": "2023-01-12T13:30:23.238233", | ||
121 | "description": "RADAR (Research Data Repository) is a | 121 | "description": "RADAR (Research Data Repository) is a | ||
122 | cross-disciplinary repository for archiving and publishing research | 122 | cross-disciplinary repository for archiving and publishing research | ||
123 | data from completed scientific studies and projects. The focus is on | 123 | data from completed scientific studies and projects. The focus is on | ||
124 | research data from subjects that do not yet have their own | 124 | research data from subjects that do not yet have their own | ||
125 | discipline-specific infrastructures for research data management. ", | 125 | discipline-specific infrastructures for research data management. ", | ||
126 | "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | 126 | "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | ||
127 | "image_url": "radar-logo.svg", | 127 | "image_url": "radar-logo.svg", | ||
128 | "is_organization": true, | 128 | "is_organization": true, | ||
129 | "name": "radar", | 129 | "name": "radar", | ||
130 | "state": "active", | 130 | "state": "active", | ||
131 | "title": "RADAR", | 131 | "title": "RADAR", | ||
132 | "type": "organization" | 132 | "type": "organization" | ||
133 | }, | 133 | }, | ||
134 | "owner_org": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | 134 | "owner_org": "013c89a9-383c-4200-8baa-0f78bf1d91f9", | ||
135 | "private": false, | 135 | "private": false, | ||
136 | "production_year": "2022", | 136 | "production_year": "2022", | ||
137 | "publication_year": "2023", | 137 | "publication_year": "2023", | ||
138 | "publishers": [ | 138 | "publishers": [ | ||
139 | { | 139 | { | ||
140 | "publisher": "Karlsruhe Institute of Technology" | 140 | "publisher": "Karlsruhe Institute of Technology" | ||
141 | } | 141 | } | ||
142 | ], | 142 | ], | ||
143 | "relationships_as_object": [], | 143 | "relationships_as_object": [], | ||
144 | "relationships_as_subject": [], | 144 | "relationships_as_subject": [], | ||
145 | "repository_name": "RADAR (Research Data Repository)", | 145 | "repository_name": "RADAR (Research Data Repository)", | ||
146 | "resources": [], | 146 | "resources": [], | ||
147 | "services_used_list": "", | 147 | "services_used_list": "", | ||
148 | "source_metadata_created": "2023", | 148 | "source_metadata_created": "2023", | ||
149 | "source_metadata_modified": "", | 149 | "source_metadata_modified": "", | ||
150 | "state": "active", | 150 | "state": "active", | ||
151 | "subject_areas": [ | 151 | "subject_areas": [ | ||
152 | { | 152 | { | ||
153 | "subject_area_additional": "", | 153 | "subject_area_additional": "", | ||
154 | "subject_area_name": "Engineering" | 154 | "subject_area_name": "Engineering" | ||
155 | } | 155 | } | ||
156 | ], | 156 | ], | ||
157 | "tags": [ | 157 | "tags": [ | ||
158 | { | 158 | { | ||
159 | "display_name": "Monte Carlo ray tracing", | 159 | "display_name": "Monte Carlo ray tracing", | ||
160 | "id": "0566b415-cfe8-4843-b851-4f72911210b6", | 160 | "id": "0566b415-cfe8-4843-b851-4f72911210b6", | ||
161 | "name": "Monte Carlo ray tracing", | 161 | "name": "Monte Carlo ray tracing", | ||
162 | "state": "active", | 162 | "state": "active", | ||
163 | "vocabulary_id": null | 163 | "vocabulary_id": null | ||
164 | }, | 164 | }, | ||
165 | { | 165 | { | ||
166 | "display_name": "photoreaction kinetic measurement", | 166 | "display_name": "photoreaction kinetic measurement", | ||
167 | "id": "5e1526e5-1ef7-4da5-8e85-0bbc28a45ef6", | 167 | "id": "5e1526e5-1ef7-4da5-8e85-0bbc28a45ef6", | ||
168 | "name": "photoreaction kinetic measurement", | 168 | "name": "photoreaction kinetic measurement", | ||
169 | "state": "active", | 169 | "state": "active", | ||
170 | "vocabulary_id": null | 170 | "vocabulary_id": null | ||
171 | }, | 171 | }, | ||
172 | { | 172 | { | ||
173 | "display_name": "quantum yield determination", | 173 | "display_name": "quantum yield determination", | ||
174 | "id": "ad50f6b4-d57f-40de-aad0-3c15de977000", | 174 | "id": "ad50f6b4-d57f-40de-aad0-3c15de977000", | ||
175 | "name": "quantum yield determination", | 175 | "name": "quantum yield determination", | ||
176 | "state": "active", | 176 | "state": "active", | ||
177 | "vocabulary_id": null | 177 | "vocabulary_id": null | ||
178 | }, | 178 | }, | ||
179 | { | 179 | { | ||
180 | "display_name": "radiation transport simulation", | 180 | "display_name": "radiation transport simulation", | ||
181 | "id": "2d610a6b-dc70-4d9d-bdfe-ddc095f6572a", | 181 | "id": "2d610a6b-dc70-4d9d-bdfe-ddc095f6572a", | ||
182 | "name": "radiation transport simulation", | 182 | "name": "radiation transport simulation", | ||
183 | "state": "active", | 183 | "state": "active", | ||
184 | "vocabulary_id": null | 184 | "vocabulary_id": null | ||
185 | } | 185 | } | ||
186 | ], | 186 | ], | ||
187 | "title": "Phorex & qy photoreactor - monte carlo ray tracing in | 187 | "title": "Phorex & qy photoreactor - monte carlo ray tracing in | ||
188 | matlab\u00ae & quantum yield measurements", | 188 | matlab\u00ae & quantum yield measurements", | ||
189 | "type": "vdataset", | 189 | "type": "vdataset", | ||
190 | "url": "https://doi.org/10.35097/1439" | 190 | "url": "https://doi.org/10.35097/1439" | ||
191 | } | 191 | } |