Water-soluble membrane proteins and methods for the preparation and use thereof
US-2015370960-A1 · Dec 24, 2015 · US
US10468124B2 · US · B2
| Field | Value |
|---|---|
| Publication number | US-10468124-B2 |
| Application number | US-201213355651-A |
| Country | US |
| Kind code | B2 |
| Filing date | Jan 23, 2012 |
| Priority date | Jan 23, 2012 |
| Publication date | Nov 5, 2019 |
| Grant date | Nov 5, 2019 |
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The present invention provides a process for designing and producing a cooling fluid for use in a cooling system. The process uses molecular dynamics to calculate the thermal properties of one or more fluid-nanoparticle solutions, and thereby aids in the study, selection and/or production of desired cooling fluids based on first principle simulations.
Opening claim text (preview).
We claim: 1. A process for designing and producing a cooling fluid for use in a cooling system, the process comprising: selecting a plurality of liquid-nanoparticle combinations to be simulated, each of the liquid-nanoparticle combinations including a liquid and a plurality of nanoparticles; calculating a nanoparticle agglomerate shape distribution for each of the liquid-nanoparticle combinations; calculating a thermal conductivity for each of the liquid-nanoparticle combinations as a function of the liquid, the plurality of nanoparticles and the nanoparticle agglomerate shape distribution for each of the liquid-nanoparticle combinations; selecting a liquid-nanoparticle combination as a function of the calculated thermal conductivities for the liquid-nanoparticle combinations; providing a liquid and a plurality of nanoparticles corresponding to the selected liquid-nanoparticle combination; and mixing the provided liquid and plurality of nanoparticles to produce a cooling fluid for use in a cooling system. 2. The process of claim 1 , further including calculating a clustering behavior of the plurality of nanoparticles within the liquid for each of the liquid-nanoparticle combinations. 3. The process of claim 1 , wherein the plurality of nanoparticles is a plurality of nanotubes and the plurality of liquid-nanoparticle combinations is a plurality of liquid-nanotube combinations. 4. The process of claim 3 , wherein the calculated agglomerate shape distribution is a function of at least one liquid-nanotube combination property selected from the group consisting of a temperature of the liquid, an aspect ratio of the nanotubes, a length of the nanotubes, a chirality of the nanotubes, a homo-molecular nanotube system, a hetero-molecular nanotube system and combinations thereof. 5. The process of claim 4 , wherein the agglomerate shape distribution is calculated using molecular dynamics. 6. The process of claim 5 , wherein the thermal conductivity is calculated using a large-scale molecular dynamics simulator. 7. The process of claim 6 , wherein the calculated thermal conductivity is a function of at least one liquid-nanotube combination property selected from the group consisting of a temperature of the liquid, an aspect ratio of the nanotubes, a length of the nanotubes, a chirality of the nanotubes, a homo-molecular nanotube system, a hetero-molecular nanotube system, a concentration of the nanotubes within the liquid, an agglomerate structure of the nanotubes within the liquid and combinations thereof.
Prediction of properties of chemical compounds, compositions or mixtures · CPC title
Nanotechnology for materials or surface science, e.g. nanocomposites · CPC title
Liquid materials · CPC title
Molecular design, e.g. of drugs · CPC title
Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like · CPC title
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